| 1592 | | [Repeated 1 time(s)] |
| 1593 | | |
| 1594 | | > isolde pepflip sel |
| 1595 | | |
| 1596 | | Flipping the peptide bond for 1 residues |
| 1597 | | |
| 1598 | | > isolde pepflip sel |
| 1599 | | |
| 1600 | | Flipping the peptide bond for 1 residues |
| 1601 | | |
| 1602 | | > isolde pepflip sel |
| 1603 | | |
| 1604 | | Flipping the peptide bond for 1 residues |
| 1605 | | |
| 1606 | | > isolde pepflip sel |
| 1607 | | |
| 1608 | | Flipping the peptide bond for 1 residues |
| 1609 | | |
| 1610 | | > isolde pepflip sel |
| 1611 | | |
| 1612 | | Flipping the peptide bond for 1 residues |
| 1613 | | |
| 1614 | | > select clear |
| 1615 | | |
| 1616 | | [Repeated 3 time(s)] |
| 1617 | | |
| 1618 | | > isolde pepflip sel |
| 1619 | | |
| 1620 | | Flipping the peptide bond for 1 residues |
| 1621 | | |
| 1622 | | > isolde pepflip sel |
| 1623 | | |
| 1624 | | Flipping the peptide bond for 1 residues |
| 1625 | | |
| 1626 | | > isolde sim pause |
| 1627 | | |
| 1628 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 1629 | | > mut8-no-C-ter/-KSRP-no-C-ter-Step1-FourthSubsteps.cxs |
| 1630 | | |
| 1631 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 1632 | | |
| 1633 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 1634 | | > mut8-no-C-ter/5-KSRP-no-C-ter-Step1-FifthSubsteps.pdb |
| 1635 | | |
| 1636 | | [Repeated 1 time(s)] |
| 1637 | | |
| 1638 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 1639 | | > mut8-no-C-ter/5-KSRP-no-C-ter-Step1-FifthSubsteps.cxs |
| 1640 | | |
| 1641 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 1642 | | |
| 1643 | | > isolde sim start sel |
| 1644 | | |
| 1645 | | Simulation already running! |
| 1646 | | |
| 1647 | | > isolde sim resume |
| 1648 | | |
| 1649 | | > isolde cisflip sel |
| 1650 | | |
| 1651 | | Performing cis<\-->trans flip for 1 residues |
| 1652 | | |
| 1653 | | > isolde cisflip sel |
| 1654 | | |
| 1655 | | Performing cis<\-->trans flip for 1 residues |
| 1656 | | |
| 1657 | | > isolde pepflip sel |
| 1658 | | |
| 1659 | | Flipping the peptide bond for 1 residues |
| 1660 | | |
| 1661 | | > isolde cisflip sel |
| 1662 | | |
| 1663 | | Performing cis<\-->trans flip for 1 residues |
| 1664 | | |
| 1665 | | > isolde cisflip sel |
| 1666 | | |
| 1667 | | Performing cis<\-->trans flip for 1 residues |
| 1668 | | |
| 1669 | | > isolde pepflip sel |
| 1670 | | |
| 1671 | | Flipping the peptide bond for 1 residues |
| 1672 | | |
| 1673 | | > isolde pepflip sel |
| 1674 | | |
| 1675 | | Flipping the peptide bond for 1 residues |
| 1676 | | |
| 1677 | | > isolde pepflip sel |
| 1678 | | |
| 1679 | | Flipping the peptide bond for 1 residues |
| 1680 | | |
| 1681 | | > isolde pepflip sel |
| 1682 | | |
| 1683 | | Flipping the peptide bond for 1 residues |
| 1684 | | |
| 1685 | | > isolde pepflip sel |
| 1686 | | |
| 1687 | | Flipping the peptide bond for 1 residues |
| 1688 | | |
| 1689 | | > select clear |
| 1690 | | |
| 1691 | | [Repeated 1 time(s)] |
| 1692 | | |
| 1693 | | > isolde pepflip sel |
| 1694 | | |
| 1695 | | Flipping the peptide bond for 1 residues |
| 1696 | | |
| 1697 | | > isolde pepflip sel |
| 1698 | | |
| 1699 | | Flipping the peptide bond for 1 residues |
| 1700 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 1701 | | |
| 1702 | | > select clear |
| 1703 | | |
| 1704 | | > isolde pepflip sel |
| 1705 | | |
| 1706 | | Flipping the peptide bond for 1 residues |
| 1707 | | |
| 1708 | | > isolde pepflip sel |
| 1709 | | |
| 1710 | | Flipping the peptide bond for 1 residues |
| 1711 | | |
| 1712 | | > isolde pepflip sel |
| 1713 | | |
| 1714 | | Flipping the peptide bond for 1 residues |
| 1715 | | |
| 1716 | | > isolde pepflip sel |
| 1717 | | |
| 1718 | | Flipping the peptide bond for 1 residues |
| 1719 | | |
| 1720 | | > select clear |
| 1721 | | |
| 1722 | | > hide #!1.2 models |
| 1723 | | |
| 1724 | | > show #!1.2 models |
| 1725 | | |
| 1726 | | > hide #!1.2 models |
| 1727 | | |
| 1728 | | > show #!1.2 models |
| 1729 | | |
| 1730 | | > hide #!1.2 models |
| 1731 | | |
| 1732 | | > show #!1.2 models |
| 1733 | | |
| 1734 | | > select clear |
| 1735 | | |
| 1736 | | > isolde pepflip sel |
| 1737 | | |
| 1738 | | Flipping the peptide bond for 1 residues |
| 1739 | | |
| 1740 | | > isolde pepflip sel |
| 1741 | | |
| 1742 | | Flipping the peptide bond for 1 residues |
| 1743 | | |
| 1744 | | > isolde pepflip sel |
| 1745 | | |
| 1746 | | Flipping the peptide bond for 1 residues |
| 1747 | | |
| 1748 | | > isolde pepflip sel |
| 1749 | | |
| 1750 | | Flipping the peptide bond for 1 residues |
| 1751 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 1752 | | |
| 1753 | | > isolde pepflip sel |
| 1754 | | |
| 1755 | | Flipping the peptide bond for 1 residues |
| 1756 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 1757 | | |
| 1758 | | > isolde pepflip sel |
| 1759 | | |
| 1760 | | Flipping the peptide bond for 1 residues |
| 1761 | | |
| 1762 | | > isolde sim pause |
| 1763 | | |
| 1764 | | > select #1 |
| 1765 | | |
| 1766 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 1767 | | |
| 1768 | | > select #1/Q:40-46 |
| 1769 | | |
| 1770 | | 132 atoms, 133 bonds, 7 residues, 1 model selected |
| 1771 | | |
| 1772 | | > isolde sim resume |
| 1773 | | |
| 1774 | | > isolde pepflip sel |
| 1775 | | |
| 1776 | | Flipping the peptide bond for 1 residues |
| 1777 | | |
| 1778 | | > isolde pepflip sel |
| 1779 | | |
| 1780 | | Flipping the peptide bond for 1 residues |
| 1781 | | |
| 1782 | | > isolde sim stop |
| 1783 | | |
| 1784 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 1785 | | chains... |
| 1786 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 1787 | | standards. |
| 1788 | | ISOLDE: stopped sim |
| 1789 | | |
| 1790 | | > isolde sim start sel |
| 1791 | | |
| 1792 | | ISOLDE: started sim |
| 1793 | | |
| 1794 | | > select clear |
| 1795 | | |
| 1796 | | [Repeated 2 time(s)] |
| 1797 | | |
| 1798 | | > select #1/Q:37 |
| 1799 | | |
| 1800 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 1801 | | |
| 1802 | | > select #1 |
| 1803 | | |
| 1804 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 1805 | | |
| 1806 | | > select #1/Q:37 |
| 1807 | | |
| 1808 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 1809 | | |
| 1810 | | > select #1/Q:43-44 |
| 1811 | | |
| 1812 | | 33 atoms, 33 bonds, 2 residues, 1 model selected |
| 1813 | | |
| 1814 | | > isolde sim pause |
| 1815 | | |
| 1816 | | > select #1 |
| 1817 | | |
| 1818 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 1819 | | |
| 1820 | | > select #1/Q:42 |
| 1821 | | |
| 1822 | | 17 atoms, 16 bonds, 1 residue, 1 model selected |
| 1823 | | |
| 1824 | | > isolde sim resume |
| 1825 | | |
| 1826 | | > isolde cisflip sel |
| 1827 | | |
| 1828 | | Performing cis<\-->trans flip for 1 residues |
| 1829 | | |
| 1830 | | > isolde cisflip sel |
| 1831 | | |
| 1832 | | Performing cis<\-->trans flip for 1 residues |
| 1833 | | |
| 1834 | | > select #1/Q:42 |
| 1835 | | |
| 1836 | | 17 atoms, 16 bonds, 1 residue, 1 model selected |
| 1837 | | |
| 1838 | | > isolde pepflip sel |
| 1839 | | |
| 1840 | | Flipping the peptide bond for 1 residues |
| 1841 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 1842 | | |
| 1843 | | > select clear |
| 1844 | | |
| 1845 | | > isolde pepflip sel |
| 1846 | | |
| 1847 | | Flipping the peptide bond for 1 residues |
| 1848 | | |
| 1849 | | > isolde cisflip sel |
| 1850 | | |
| 1851 | | Performing cis<\-->trans flip for 1 residues |
| 1852 | | |
| 1853 | | > isolde pepflip sel |
| 1854 | | |
| 1855 | | Flipping the peptide bond for 1 residues |
| 1856 | | |
| 1857 | | > isolde pepflip sel |
| 1858 | | |
| 1859 | | Flipping the peptide bond for 1 residues |
| 1860 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 1861 | | |
| 1862 | | > select clear |
| 1863 | | |
| 1864 | | [Repeated 1 time(s)] |
| 1865 | | |
| 1866 | | > isolde cisflip sel |
| 1867 | | |
| 1868 | | Performing cis<\-->trans flip for 1 residues |
| 1869 | | |
| 1870 | | > select clear |
| 1871 | | |
| 1872 | | [Repeated 1 time(s)] |
| 1873 | | |
| 1874 | | > ui tool show "Ramachandran Plot" |
| 1875 | | |
| 1876 | | > select clear |
| 1877 | | |
| 1878 | | > isolde sim stop |
| 1879 | | |
| 1880 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 1881 | | chains... |
| 1882 | | ISOLDE: stopped sim |
| 1883 | | |
| 1884 | | > isolde sim start sel |
| 1885 | | |
| 1886 | | ISOLDE: started sim |
| 1887 | | |
| 1888 | | > isolde sim stop |
| 1889 | | |
| 1890 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 1891 | | chains... |
| 1892 | | ISOLDE: stopped sim |
| 1893 | | |
| 1894 | | > isolde sim start sel |
| 1895 | | |
| 1896 | | ISOLDE: started sim |
| 1897 | | |
| 1898 | | > ui tool show "Ramachandran Plot" |
| 1899 | | |
| 1900 | | > select clear |
| 1901 | | |
| 1902 | | > isolde pepflip sel |
| 1903 | | |
| 1904 | | Flipping the peptide bond for 1 residues |
| 1905 | | |
| 1906 | | > isolde pepflip sel |
| 1907 | | |
| 1908 | | Flipping the peptide bond for 1 residues |
| 1909 | | |
| 1910 | | > isolde pepflip sel |
| 1911 | | |
| 1912 | | Flipping the peptide bond for 1 residues |
| 1913 | | |
| 1914 | | > select clear |
| 1915 | | |
| 1916 | | [Repeated 1 time(s)] |
| 1917 | | |
| 1918 | | > isolde pepflip sel |
| 1919 | | |
| 1920 | | Flipping the peptide bond for 1 residues |
| 1921 | | |
| 1922 | | > isolde pepflip sel |
| 1923 | | |
| 1924 | | Flipping the peptide bond for 1 residues |
| 1925 | | |
| 1926 | | > select clear |
| 1927 | | |
| 1928 | | > isolde sim stop discardTo start |
| 1929 | | |
| 1930 | | reverting to start |
| 1931 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 1932 | | chains... |
| 1933 | | ISOLDE: stopped sim |
| 1934 | | |
| 1935 | | > isolde sim start sel |
| 1936 | | |
| 1937 | | ISOLDE: started sim |
| 1938 | | |
| 1939 | | > isolde sim stop |
| 1940 | | |
| 1941 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 1942 | | chains... |
| 1943 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 1944 | | standards. |
| 1945 | | ISOLDE: stopped sim |
| 1946 | | |
| 1947 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 1948 | | > mut8-no-C-ter/6-KSRP-no-C-ter-Step1-SixthSubsteps.cxs |
| 1949 | | |
| 1950 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 1951 | | |
| 1952 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 1953 | | > mut8-no-C-ter/6-KSRP-no-C-ter-Step1-SixthSubsteps.pdb |
| 1954 | | |
| 1955 | | > isolde sim start sel |
| 1956 | | |
| 1957 | | ISOLDE: started sim |
| 1958 | | |
| 1959 | | > isolde sim stop |
| 1960 | | |
| 1961 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 1962 | | chains... |
| 1963 | | ISOLDE: stopped sim |
| 1964 | | |
| 1965 | | > isolde sim start sel |
| 1966 | | |
| 1967 | | ISOLDE: started sim |
| 1968 | | |
| 1969 | | > select clear |
| 1970 | | |
| 1971 | | [Repeated 1 time(s)] |
| 1972 | | |
| 1973 | | > isolde pepflip sel |
| 1974 | | |
| 1975 | | Flipping the peptide bond for 1 residues |
| 1976 | | |
| 1977 | | > select clear |
| 1978 | | |
| 1979 | | > isolde pepflip sel |
| 1980 | | |
| 1981 | | Flipping the peptide bond for 1 residues |
| 1982 | | |
| 1983 | | > isolde pepflip sel |
| 1984 | | |
| 1985 | | Flipping the peptide bond for 1 residues |
| 1986 | | |
| 1987 | | > select clear |
| 1988 | | |
| 1989 | | > isolde pepflip sel |
| 1990 | | |
| 1991 | | Flipping the peptide bond for 1 residues |
| 1992 | | |
| 1993 | | > isolde pepflip sel |
| 1994 | | |
| 1995 | | Flipping the peptide bond for 1 residues |
| 1996 | | |
| 1997 | | > select clear |
| 1998 | | |
| 1999 | | [Repeated 2 time(s)] |
| 2000 | | |
| 2001 | | > isolde pepflip sel |
| 2002 | | |
| 2003 | | Flipping the peptide bond for 1 residues |
| 2004 | | |
| 2005 | | > isolde pepflip sel |
| 2006 | | |
| 2007 | | Flipping the peptide bond for 1 residues |
| 2008 | | |
| 2009 | | > select clear |
| 2010 | | |
| 2011 | | [Repeated 2 time(s)] |
| 2012 | | |
| 2013 | | > isolde sim stop |
| 2014 | | |
| 2015 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2016 | | chains... |
| 2017 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 2018 | | standards. |
| 2019 | | ISOLDE: stopped sim |
| 2020 | | |
| 2021 | | > isolde sim start sel |
| 2022 | | |
| 2023 | | ISOLDE: started sim |
| 2024 | | |
| 2025 | | > isolde pepflip sel |
| 2026 | | |
| 2027 | | Flipping the peptide bond for 1 residues |
| 2028 | | |
| 2029 | | > isolde pepflip sel |
| 2030 | | |
| 2031 | | Flipping the peptide bond for 1 residues |
| 2032 | | |
| 2033 | | > select clear |
| 2034 | | |
| 2035 | | > isolde pepflip sel |
| 2036 | | |
| 2037 | | Flipping the peptide bond for 1 residues |
| 2038 | | |
| 2039 | | > select clear |
| 2040 | | |
| 2041 | | > isolde pepflip sel |
| 2042 | | |
| 2043 | | Flipping the peptide bond for 1 residues |
| 2044 | | |
| 2045 | | > isolde pepflip sel |
| 2046 | | |
| 2047 | | Flipping the peptide bond for 1 residues |
| 2048 | | |
| 2049 | | > isolde pepflip sel |
| 2050 | | |
| 2051 | | Flipping the peptide bond for 1 residues |
| 2052 | | |
| 2053 | | > select clear |
| 2054 | | |
| 2055 | | > isolde sim stop |
| 2056 | | |
| 2057 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2058 | | chains... |
| 2059 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 2060 | | standards. |
| 2061 | | ISOLDE: stopped sim |
| 2062 | | |
| 2063 | | > select clear |
| 2064 | | |
| 2065 | | > isolde sim start sel |
| 2066 | | |
| 2067 | | ISOLDE: started sim |
| 2068 | | |
| 2069 | | > select clear |
| 2070 | | |
| 2071 | | > isolde pepflip sel |
| 2072 | | |
| 2073 | | Flipping the peptide bond for 1 residues |
| 2074 | | |
| 2075 | | > isolde pepflip sel |
| 2076 | | |
| 2077 | | Flipping the peptide bond for 1 residues |
| 2078 | | |
| 2079 | | > select clear |
| 2080 | | |
| 2081 | | > isolde pepflip sel |
| 2082 | | |
| 2083 | | Flipping the peptide bond for 1 residues |
| 2084 | | |
| 2085 | | > select clear |
| 2086 | | |
| 2087 | | > isolde sim stop |
| 2088 | | |
| 2089 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2090 | | chains... |
| 2091 | | ISOLDE: stopped sim |
| 2092 | | |
| 2093 | | > isolde sim start sel |
| 2094 | | |
| 2095 | | ISOLDE: started sim |
| 2096 | | |
| 2097 | | > select clear |
| 2098 | | |
| 2099 | | > isolde sim stop |
| 2100 | | |
| 2101 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2102 | | chains... |
| 2103 | | ISOLDE: stopped sim |
| 2104 | | |
| 2105 | | > isolde sim start sel |
| 2106 | | |
| 2107 | | ISOLDE: started sim |
| 2108 | | |
| 2109 | | > select clear |
| 2110 | | |
| 2111 | | > isolde sim stop |
| 2112 | | |
| 2113 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2114 | | chains... |
| 2115 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 2116 | | standards. |
| 2117 | | ISOLDE: stopped sim |
| 2118 | | |
| 2119 | | > isolde sim start sel |
| 2120 | | |
| 2121 | | ISOLDE: started sim |
| 2122 | | |
| 2123 | | > isolde pepflip sel |
| 2124 | | |
| 2125 | | Flipping the peptide bond for 1 residues |
| 2126 | | |
| 2127 | | > select clear |
| 2128 | | |
| 2129 | | [Repeated 1 time(s)] |
| 2130 | | |
| 2131 | | > isolde pepflip sel |
| 2132 | | |
| 2133 | | Flipping the peptide bond for 1 residues |
| 2134 | | |
| 2135 | | > isolde pepflip sel |
| 2136 | | |
| 2137 | | Flipping the peptide bond for 1 residues |
| 2138 | | |
| 2139 | | > isolde pepflip sel |
| 2140 | | |
| 2141 | | Flipping the peptide bond for 1 residues |
| 2142 | | |
| 2143 | | > isolde pepflip sel |
| 2144 | | |
| 2145 | | Flipping the peptide bond for 1 residues |
| 2146 | | |
| 2147 | | > select clear |
| 2148 | | |
| 2149 | | [Repeated 3 time(s)] |
| 2150 | | |
| 2151 | | > isolde pepflip sel |
| 2152 | | |
| 2153 | | Flipping the peptide bond for 1 residues |
| 2154 | | |
| 2155 | | > select clear |
| 2156 | | |
| 2157 | | > isolde pepflip sel |
| 2158 | | |
| 2159 | | Flipping the peptide bond for 1 residues |
| 2160 | | |
| 2161 | | > isolde pepflip sel |
| 2162 | | |
| 2163 | | Flipping the peptide bond for 1 residues |
| 2164 | | |
| 2165 | | > select clear |
| 2166 | | |
| 2167 | | > isolde pepflip sel |
| 2168 | | |
| 2169 | | Flipping the peptide bond for 1 residues |
| 2170 | | |
| 2171 | | > isolde pepflip sel |
| 2172 | | |
| 2173 | | Flipping the peptide bond for 1 residues |
| 2174 | | |
| 2175 | | > select clear |
| 2176 | | |
| 2177 | | [Repeated 4 time(s)] |
| 2178 | | |
| 2179 | | > isolde sim stop |
| 2180 | | |
| 2181 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2182 | | chains... |
| 2183 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 2184 | | standards. |
| 2185 | | ISOLDE: stopped sim |
| 2186 | | |
| 2187 | | > isolde sim start sel |
| 2188 | | |
| 2189 | | ISOLDE: started sim |
| 2190 | | |
| 2191 | | > isolde sim stop discardTo start |
| 2192 | | |
| 2193 | | reverting to start |
| 2194 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2195 | | chains... |
| 2196 | | ISOLDE: stopped sim |
| 2197 | | |
| 2198 | | > isolde sim start sel |
| 2199 | | |
| 2200 | | ISOLDE: started sim |
| 2201 | | |
| 2202 | | > ui tool show "Ramachandran Plot" |
| 2203 | | |
| 2204 | | > select clear |
| 2205 | | |
| 2206 | | [Repeated 7 time(s)] |
| 2207 | | |
| 2208 | | > isolde sim stop discardTo start |
| 2209 | | |
| 2210 | | reverting to start |
| 2211 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2212 | | chains... |
| 2213 | | ISOLDE: stopped sim |
| 2214 | | |
| 2215 | | > isolde sim start sel |
| 2216 | | |
| 2217 | | ISOLDE: started sim |
| 2218 | | |
| 2219 | | > isolde sim stop |
| 2220 | | |
| 2221 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2222 | | chains... |
| 2223 | | ISOLDE: stopped sim |
| 2224 | | |
| 2225 | | > isolde sim start sel |
| 2226 | | |
| 2227 | | ISOLDE: started sim |
| 2228 | | |
| 2229 | | > select #1 |
| 2230 | | |
| 2231 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 2232 | | |
| 2233 | | > select clear |
| 2234 | | |
| 2235 | | > isolde pepflip sel |
| 2236 | | |
| 2237 | | Flipping the peptide bond for 1 residues |
| 2238 | | |
| 2239 | | > select clear |
| 2240 | | |
| 2241 | | > isolde pepflip sel |
| 2242 | | |
| 2243 | | Flipping the peptide bond for 1 residues |
| 2244 | | |
| 2245 | | > select clear |
| 2246 | | |
| 2247 | | [Repeated 2 time(s)] |
| 2248 | | |
| 2249 | | > isolde pepflip sel |
| 2250 | | |
| 2251 | | Flipping the peptide bond for 1 residues |
| 2252 | | |
| 2253 | | > isolde pepflip sel |
| 2254 | | |
| 2255 | | Flipping the peptide bond for 1 residues |
| 2256 | | |
| 2257 | | > select clear |
| 2258 | | |
| 2259 | | > isolde cisflip sel |
| 2260 | | |
| 2261 | | Performing cis<\-->trans flip for 1 residues |
| 2262 | | |
| 2263 | | > isolde cisflip sel |
| 2264 | | |
| 2265 | | Performing cis<\-->trans flip for 1 residues |
| 2266 | | |
| 2267 | | > select clear |
| 2268 | | |
| 2269 | | [Repeated 1 time(s)] |
| 2270 | | |
| 2271 | | > isolde pepflip sel |
| 2272 | | |
| 2273 | | Flipping the peptide bond for 1 residues |
| 2274 | | |
| 2275 | | > isolde pepflip sel |
| 2276 | | |
| 2277 | | Flipping the peptide bond for 1 residues |
| 2278 | | |
| 2279 | | > isolde pepflip sel |
| 2280 | | |
| 2281 | | Flipping the peptide bond for 1 residues |
| 2282 | | |
| 2283 | | > isolde pepflip sel |
| 2284 | | |
| 2285 | | Flipping the peptide bond for 1 residues |
| 2286 | | |
| 2287 | | > isolde pepflip sel |
| 2288 | | |
| 2289 | | Flipping the peptide bond for 1 residues |
| 2290 | | |
| 2291 | | > isolde pepflip sel |
| 2292 | | |
| 2293 | | Flipping the peptide bond for 1 residues |
| 2294 | | |
| 2295 | | > select clear |
| 2296 | | |
| 2297 | | [Repeated 3 time(s)] |
| 2298 | | |
| 2299 | | > isolde pepflip sel |
| 2300 | | |
| 2301 | | Flipping the peptide bond for 1 residues |
| 2302 | | |
| 2303 | | > select clear |
| 2304 | | |
| 2305 | | [Repeated 3 time(s)] |
| 2306 | | |
| 2307 | | > isolde pepflip sel |
| 2308 | | |
| 2309 | | Flipping the peptide bond for 1 residues |
| 2310 | | |
| 2311 | | > select clear |
| 2312 | | |
| 2313 | | > select #1 |
| 2314 | | |
| 2315 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 2316 | | |
| 2317 | | > isolde pepflip sel |
| 2318 | | |
| 2319 | | Flipping the peptide bond for 1 residues |
| 2320 | | |
| 2321 | | > isolde pepflip sel |
| 2322 | | |
| 2323 | | Flipping the peptide bond for 1 residues |
| 2324 | | |
| 2325 | | > isolde pepflip sel |
| 2326 | | |
| 2327 | | Flipping the peptide bond for 1 residues |
| 2328 | | |
| 2329 | | > isolde pepflip sel |
| 2330 | | |
| 2331 | | Flipping the peptide bond for 1 residues |
| 2332 | | |
| 2333 | | > select clear |
| 2334 | | |
| 2335 | | [Repeated 4 time(s)] |
| 2336 | | |
| 2337 | | > isolde sim pause |
| 2338 | | |
| 2339 | | > select #1 |
| 2340 | | |
| 2341 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 2342 | | |
| 2343 | | > isolde sim resume |
| 2344 | | |
| 2345 | | > select clear |
| 2346 | | |
| 2347 | | > isolde pepflip sel |
| 2348 | | |
| 2349 | | Flipping the peptide bond for 1 residues |
| 2350 | | |
| 2351 | | > isolde pepflip sel |
| 2352 | | |
| 2353 | | Flipping the peptide bond for 1 residues |
| 2354 | | |
| 2355 | | > isolde pepflip sel |
| 2356 | | |
| 2357 | | Flipping the peptide bond for 1 residues |
| 2358 | | |
| 2359 | | > select clear |
| 2360 | | |
| 2361 | | > isolde pepflip sel |
| 2362 | | |
| 2363 | | Flipping the peptide bond for 1 residues |
| 2364 | | |
| 2365 | | > isolde pepflip sel |
| 2366 | | |
| 2367 | | Flipping the peptide bond for 1 residues |
| 2368 | | |
| 2369 | | > select clear |
| 2370 | | |
| 2371 | | > isolde pepflip sel |
| 2372 | | |
| 2373 | | Flipping the peptide bond for 1 residues |
| 2374 | | |
| 2375 | | > select clear |
| 2376 | | |
| 2377 | | [Repeated 1 time(s)] |
| 2378 | | |
| 2379 | | > isolde pepflip sel |
| 2380 | | |
| 2381 | | Flipping the peptide bond for 1 residues |
| 2382 | | |
| 2383 | | > select clear |
| 2384 | | |
| 2385 | | > isolde pepflip sel |
| 2386 | | |
| 2387 | | Flipping the peptide bond for 1 residues |
| 2388 | | |
| 2389 | | > ui tool show "Ramachandran Plot" |
| 2390 | | |
| 2391 | | > select clear |
| 2392 | | |
| 2393 | | > ui tool show "Ramachandran Plot" |
| 2394 | | |
| 2395 | | > select clear |
| 2396 | | |
| 2397 | | [Repeated 3 time(s)] |
| 2398 | | |
| 2399 | | > isolde pepflip sel |
| 2400 | | |
| 2401 | | Flipping the peptide bond for 1 residues |
| 2402 | | |
| 2403 | | > select #1 |
| 2404 | | |
| 2405 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 2406 | | |
| 2407 | | > select #1/o:60 |
| 2408 | | |
| 2409 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 2410 | | |
| 2411 | | > select clear |
| 2412 | | |
| 2413 | | > ui tool show "Ramachandran Plot" |
| 2414 | | |
| 2415 | | > select clear |
| 2416 | | |
| 2417 | | [Repeated 1 time(s)] |
| 2418 | | |
| 2419 | | > ui tool show "Ramachandran Plot" |
| 2420 | | |
| 2421 | | > select clear |
| 2422 | | |
| 2423 | | [Repeated 1 time(s)] |
| 2424 | | |
| 2425 | | > isolde pepflip sel |
| 2426 | | |
| 2427 | | Flipping the peptide bond for 1 residues |
| 2428 | | Peptide bond must be mobile in the simulation! |
| 2429 | | |
| 2430 | | > ui tool show "Ramachandran Plot" |
| 2431 | | |
| 2432 | | > select clear |
| 2433 | | |
| 2434 | | > ui tool show "Ramachandran Plot" |
| 2435 | | |
| 2436 | | > select #1 |
| 2437 | | |
| 2438 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 2439 | | |
| 2440 | | > isolde pepflip sel |
| 2441 | | |
| 2442 | | Flipping the peptide bond for 1 residues |
| 2443 | | |
| 2444 | | > select clear |
| 2445 | | |
| 2446 | | > isolde pepflip sel |
| 2447 | | |
| 2448 | | Flipping the peptide bond for 1 residues |
| 2449 | | |
| 2450 | | > select clear |
| 2451 | | |
| 2452 | | > ui tool show "Ramachandran Plot" |
| 2453 | | |
| 2454 | | Traceback (most recent call last): |
| 2455 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 2456 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 2457 | | func(*args, **kwargs) |
| 2458 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 2459 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 2460 | | on_resize |
| 2461 | | c.draw() |
| 2462 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 2463 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 2464 | | self.figure.draw(self.renderer) |
| 2465 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 2466 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 2467 | | result = draw(artist, renderer, *args, **kwargs) |
| 2468 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 2469 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 2470 | | return draw(artist, renderer) |
| 2471 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 2472 | | packages/matplotlib/figure.py", line 2796, in draw |
| 2473 | | artists = self._get_draw_artists(renderer) |
| 2474 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 2475 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 2476 | | ax.apply_aspect() |
| 2477 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 2478 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 2479 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 2480 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 2481 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 2482 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 2483 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 2484 | | |
| 2485 | | > ui tool show "Ramachandran Plot" |
| 2486 | | |
| 2487 | | > select clear |
| 2488 | | |
| 2489 | | > isolde pepflip sel |
| 2490 | | |
| 2491 | | Flipping the peptide bond for 1 residues |
| 2492 | | |
| 2493 | | > isolde pepflip sel |
| 2494 | | |
| 2495 | | Flipping the peptide bond for 1 residues |
| 2496 | | |
| 2497 | | > isolde pepflip sel |
| 2498 | | |
| 2499 | | Flipping the peptide bond for 1 residues |
| 2500 | | |
| 2501 | | > isolde pepflip sel |
| 2502 | | |
| 2503 | | Flipping the peptide bond for 1 residues |
| 2504 | | |
| 2505 | | > isolde pepflip sel |
| 2506 | | |
| 2507 | | Flipping the peptide bond for 1 residues |
| 2508 | | |
| 2509 | | > select clear |
| 2510 | | |
| 2511 | | [Repeated 4 time(s)] |
| 2512 | | |
| 2513 | | > ui tool show "Ramachandran Plot" |
| 2514 | | |
| 2515 | | [Repeated 1 time(s)] |
| 2516 | | |
| 2517 | | > select clear |
| 2518 | | |
| 2519 | | > isolde sim stop |
| 2520 | | |
| 2521 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2522 | | chains... |
| 2523 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 2524 | | standards. |
| 2525 | | ISOLDE: stopped sim |
| 2526 | | |
| 2527 | | > select #1/a:47 |
| 2528 | | |
| 2529 | | 16 atoms, 15 bonds, 1 residue, 1 model selected |
| 2530 | | |
| 2531 | | > view #1/a:47 |
| 2532 | | |
| 2533 | | > view #1/o:63 |
| 2534 | | |
| 2535 | | [Repeated 1 time(s)] |
| 2536 | | |
| 2537 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 2538 | | > mut8-no-C-ter/7-KSRP-no-C-ter-Step1-SeventhSubsteps.cxs |
| 2539 | | |
| 2540 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 2541 | | |
| 2542 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 2543 | | > mut8-no-C-ter/7-KSRP-no-C-ter-Step1-SeventhSubsteps.pdb |
| 2544 | | |
| 2545 | | > isolde sim start sel |
| 2546 | | |
| 2547 | | ISOLDE: started sim |
| 2548 | | |
| 2549 | | > select clear |
| 2550 | | |
| 2551 | | [Repeated 1 time(s)] |
| 2552 | | |
| 2553 | | > isolde pepflip sel |
| 2554 | | |
| 2555 | | Flipping the peptide bond for 1 residues |
| 2556 | | |
| 2557 | | > isolde pepflip sel |
| 2558 | | |
| 2559 | | Flipping the peptide bond for 1 residues |
| 2560 | | Peptide bond must be mobile in the simulation! |
| 2561 | | |
| 2562 | | > isolde pepflip sel |
| 2563 | | |
| 2564 | | Flipping the peptide bond for 1 residues |
| 2565 | | |
| 2566 | | > select clear |
| 2567 | | |
| 2568 | | > isolde sim stop |
| 2569 | | |
| 2570 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2571 | | chains... |
| 2572 | | ISOLDE: stopped sim |
| 2573 | | |
| 2574 | | > isolde sim start sel |
| 2575 | | |
| 2576 | | ISOLDE: started sim |
| 2577 | | |
| 2578 | | > isolde pepflip sel |
| 2579 | | |
| 2580 | | Flipping the peptide bond for 1 residues |
| 2581 | | |
| 2582 | | > select clear |
| 2583 | | |
| 2584 | | [Repeated 1 time(s)] |
| 2585 | | |
| 2586 | | > isolde sim stop |
| 2587 | | |
| 2588 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2589 | | chains... |
| 2590 | | ISOLDE: stopped sim |
| 2591 | | |
| 2592 | | > select #1/p:43 |
| 2593 | | |
| 2594 | | 24 atoms, 25 bonds, 1 residue, 1 model selected |
| 2595 | | |
| 2596 | | > isolde sim start sel |
| 2597 | | |
| 2598 | | ISOLDE: started sim |
| 2599 | | |
| 2600 | | > view sel |
| 2601 | | |
| 2602 | | > select clear |
| 2603 | | |
| 2604 | | > isolde sim start sel |
| 2605 | | |
| 2606 | | Simulation already running! |
| 2607 | | |
| 2608 | | > isolde sim stop |
| 2609 | | |
| 2610 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2611 | | chains... |
| 2612 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 2613 | | standards. |
| 2614 | | ISOLDE: stopped sim |
| 2615 | | |
| 2616 | | > isolde sim start sel |
| 2617 | | |
| 2618 | | ISOLDE: started sim |
| 2619 | | |
| 2620 | | > isolde pepflip sel |
| 2621 | | |
| 2622 | | Flipping the peptide bond for 1 residues |
| 2623 | | |
| 2624 | | > select clear |
| 2625 | | |
| 2626 | | > isolde sim stop |
| 2627 | | |
| 2628 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2629 | | chains... |
| 2630 | | ISOLDE: stopped sim |
| 2631 | | |
| 2632 | | > select #1/p:43 |
| 2633 | | |
| 2634 | | 24 atoms, 25 bonds, 1 residue, 1 model selected |
| 2635 | | |
| 2636 | | > view #1/p:43 |
| 2637 | | |
| 2638 | | > select #1/p:43 |
| 2639 | | |
| 2640 | | 24 atoms, 25 bonds, 1 residue, 1 model selected |
| 2641 | | |
| 2642 | | > isolde sim start sel |
| 2643 | | |
| 2644 | | ISOLDE: started sim |
| 2645 | | |
| 2646 | | > select clear |
| 2647 | | |
| 2648 | | > isolde sim stop |
| 2649 | | |
| 2650 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2651 | | chains... |
| 2652 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 2653 | | standards. |
| 2654 | | ISOLDE: stopped sim |
| 2655 | | |
| 2656 | | > isolde sim start sel |
| 2657 | | |
| 2658 | | ISOLDE: started sim |
| 2659 | | |
| 2660 | | > isolde sim stop |
| 2661 | | |
| 2662 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2663 | | chains... |
| 2664 | | ISOLDE: stopped sim |
| 2665 | | |
| 2666 | | > isolde sim start sel |
| 2667 | | |
| 2668 | | ISOLDE: started sim |
| 2669 | | |
| 2670 | | > isolde sim stop |
| 2671 | | |
| 2672 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2673 | | chains... |
| 2674 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 2675 | | standards. |
| 2676 | | ISOLDE: stopped sim |
| 2677 | | |
| 2678 | | > view #1/p:111 |
| 2679 | | |
| 2680 | | > select #1/p:111 |
| 2681 | | |
| 2682 | | 12 atoms, 11 bonds, 1 residue, 1 model selected |
| 2683 | | |
| 2684 | | > isolde sim start sel |
| 2685 | | |
| 2686 | | ISOLDE: started sim |
| 2687 | | |
| 2688 | | > select clear |
| 2689 | | |
| 2690 | | > view sele |
| 2691 | | |
| 2692 | | Expected an objects specifier or a view name or a keyword |
| 2693 | | |
| 2694 | | > view sel |
| 2695 | | |
| 2696 | | > isolde sim stop |
| 2697 | | |
| 2698 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2699 | | chains... |
| 2700 | | ISOLDE: stopped sim |
| 2701 | | |
| 2702 | | > isolde sim start sel |
| 2703 | | |
| 2704 | | ISOLDE: started sim |
| 2705 | | |
| 2706 | | > isolde pepflip sel |
| 2707 | | |
| 2708 | | Flipping the peptide bond for 1 residues |
| 2709 | | |
| 2710 | | > isolde pepflip sel |
| 2711 | | |
| 2712 | | Flipping the peptide bond for 1 residues |
| 2713 | | |
| 2714 | | > isolde sim stop |
| 2715 | | |
| 2716 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2717 | | chains... |
| 2718 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 2719 | | standards. |
| 2720 | | ISOLDE: stopped sim |
| 2721 | | |
| 2722 | | > isolde sim start sel |
| 2723 | | |
| 2724 | | ISOLDE: started sim |
| 2725 | | |
| 2726 | | > isolde pepflip sel |
| 2727 | | |
| 2728 | | Flipping the peptide bond for 1 residues |
| 2729 | | |
| 2730 | | > isolde pepflip sel |
| 2731 | | |
| 2732 | | Flipping the peptide bond for 1 residues |
| 2733 | | |
| 2734 | | > select clear |
| 2735 | | |
| 2736 | | > ui tool show "Ramachandran Plot" |
| 2737 | | |
| 2738 | | > select clear |
| 2739 | | |
| 2740 | | [Repeated 6 time(s)] |
| 2741 | | |
| 2742 | | > ui tool show "Ramachandran Plot" |
| 2743 | | |
| 2744 | | > select clear |
| 2745 | | |
| 2746 | | [Repeated 1 time(s)] |
| 2747 | | |
| 2748 | | > ui tool show "Ramachandran Plot" |
| 2749 | | |
| 2750 | | > select clear |
| 2751 | | |
| 2752 | | [Repeated 1 time(s)] |
| 2753 | | |
| 2754 | | > ui tool show "Ramachandran Plot" |
| 2755 | | |
| 2756 | | > select clear |
| 2757 | | |
| 2758 | | > isolde pepflip sel |
| 2759 | | |
| 2760 | | Flipping the peptide bond for 1 residues |
| 2761 | | |
| 2762 | | > isolde pepflip sel |
| 2763 | | |
| 2764 | | Flipping the peptide bond for 1 residues |
| 2765 | | |
| 2766 | | > select clear |
| 2767 | | |
| 2768 | | [Repeated 1 time(s)] |
| 2769 | | |
| 2770 | | > isolde sim stop |
| 2771 | | |
| 2772 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2773 | | chains... |
| 2774 | | ISOLDE: stopped sim |
| 2775 | | |
| 2776 | | > view #1/p:64 |
| 2777 | | |
| 2778 | | > isolde sim start sel |
| 2779 | | |
| 2780 | | ISOLDE: started sim |
| 2781 | | |
| 2782 | | > isolde pepflip sel |
| 2783 | | |
| 2784 | | Flipping the peptide bond for 1 residues |
| 2785 | | |
| 2786 | | > isolde pepflip sel |
| 2787 | | |
| 2788 | | Flipping the peptide bond for 1 residues |
| 2789 | | |
| 2790 | | > isolde pepflip sel |
| 2791 | | |
| 2792 | | Flipping the peptide bond for 1 residues |
| 2793 | | |
| 2794 | | > isolde pepflip sel |
| 2795 | | |
| 2796 | | Flipping the peptide bond for 1 residues |
| 2797 | | |
| 2798 | | > select clear |
| 2799 | | |
| 2800 | | > isolde sim stop |
| 2801 | | |
| 2802 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2803 | | chains... |
| 2804 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 2805 | | standards. |
| 2806 | | ISOLDE: stopped sim |
| 2807 | | |
| 2808 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 2809 | | > mut8-no-C-ter/8-KSRP-no-C-ter-Step1-EightenthSubsteps.cxs |
| 2810 | | |
| 2811 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 2812 | | |
| 2813 | | ——— End of log from Mon Mar 6 10:45:08 2023 ——— |
| 2814 | | |
| 2815 | | opened ChimeraX session |
| 2816 | | |
| 2817 | | > isolde start |
| 2818 | | |
| 2819 | | > set selectionWidth 4 |
| 2820 | | |
| 2821 | | > select clear |
| 2822 | | |
| 2823 | | > view #1/p:118 |
| 2824 | | |
| 2825 | | > view #1/p:161 |
| 2826 | | |
| 2827 | | > select #1/p:161 |
| 2828 | | |
| 2829 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 2830 | | |
| 2831 | | > select #1/p:158-161|/p:167-171 |
| 2832 | | |
| 2833 | | 150 atoms, 150 bonds, 9 residues, 1 model selected |
| 2834 | | |
| 2835 | | > isolde sim start sel |
| 2836 | | |
| 2837 | | Launching using CUDA failed with the below message. Falling back to using |
| 2838 | | OpenCL. |
| 2839 | | |
| 2840 | | Error compiling program: nvrtc: error: invalid value for --gpu-architecture |
| 2841 | | (-arch) |
| 2842 | | |
| 2843 | | |
| 2844 | | ISOLDE: started sim |
| 2845 | | |
| 2846 | | > isolde sim stop discardTo start |
| 2847 | | |
| 2848 | | reverting to start |
| 2849 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2850 | | chains... |
| 2851 | | ISOLDE: stopped sim |
| 2852 | | |
| 2853 | | > select #1/p:158-161|/p:167-171 |
| 2854 | | |
| 2855 | | 150 atoms, 150 bonds, 9 residues, 1 model selected |
| 2856 | | |
| 2857 | | > isolde sim start sel |
| 2858 | | |
| 2859 | | ISOLDE: started sim |
| 2860 | | |
| 2861 | | > ui tool show "Ramachandran Plot" |
| 2862 | | |
| 2863 | | > isolde pepflip sel |
| 2864 | | |
| 2865 | | Flipping the peptide bond for 1 residues |
| 2866 | | |
| 2867 | | > isolde pepflip sel |
| 2868 | | |
| 2869 | | Flipping the peptide bond for 1 residues |
| 2870 | | |
| 2871 | | > isolde pepflip sel |
| 2872 | | |
| 2873 | | Flipping the peptide bond for 1 residues |
| 2874 | | |
| 2875 | | > select #1/p:158-161|/p:167-171 |
| 2876 | | |
| 2877 | | 150 atoms, 150 bonds, 9 residues, 1 model selected |
| 2878 | | |
| 2879 | | > select #1/p:158-171 |
| 2880 | | |
| 2881 | | 223 atoms, 225 bonds, 14 residues, 1 model selected |
| 2882 | | |
| 2883 | | > ui tool show "Ramachandran Plot" |
| 2884 | | |
| 2885 | | > select clear |
| 2886 | | |
| 2887 | | [Repeated 5 time(s)] |
| 2888 | | |
| 2889 | | > show target m |
| 2890 | | |
| 2891 | | > isolde sim stop |
| 2892 | | |
| 2893 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2894 | | chains... |
| 2895 | | ISOLDE: stopped sim |
| 2896 | | |
| 2897 | | > isolde start |
| 2898 | | |
| 2899 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 2900 | | > mut8-no-C-ter/9-KSRP-no-C-ter-Step1-NinthSubsteps.cxs |
| 2901 | | |
| 2902 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 2903 | | |
| 2904 | | ——— End of log from Wed Mar 8 06:50:37 2023 ——— |
| 2905 | | |
| 2906 | | opened ChimeraX session |
| 2907 | | |
| 2908 | | > isolde start |
| 2909 | | |
| 2910 | | > set selectionWidth 4 |
| 2911 | | |
| 2912 | | > isolde sim start sel |
| 2913 | | |
| 2914 | | Launching using CUDA failed with the below message. Falling back to using |
| 2915 | | OpenCL. |
| 2916 | | |
| 2917 | | Error compiling program: nvrtc: error: invalid value for --gpu-architecture |
| 2918 | | (-arch) |
| 2919 | | |
| 2920 | | |
| 2921 | | ISOLDE: started sim |
| 2922 | | |
| 2923 | | > isolde sim stop discardTo start |
| 2924 | | |
| 2925 | | reverting to start |
| 2926 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2927 | | chains... |
| 2928 | | ISOLDE: stopped sim |
| 2929 | | |
| 2930 | | > isolde sim start sel |
| 2931 | | |
| 2932 | | ISOLDE: started sim |
| 2933 | | |
| 2934 | | > ui tool show "Ramachandran Plot" |
| 2935 | | |
| 2936 | | > isolde sim stop |
| 2937 | | |
| 2938 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2939 | | chains... |
| 2940 | | ISOLDE: stopped sim |
| 2941 | | |
| 2942 | | > isolde sim start sel |
| 2943 | | |
| 2944 | | ISOLDE: started sim |
| 2945 | | |
| 2946 | | > select clear |
| 2947 | | |
| 2948 | | [Repeated 2 time(s)] |
| 2949 | | |
| 2950 | | > isolde pepflip sel |
| 2951 | | |
| 2952 | | Flipping the peptide bond for 1 residues |
| 2953 | | |
| 2954 | | > select clear |
| 2955 | | |
| 2956 | | > isolde pepflip sel |
| 2957 | | |
| 2958 | | Flipping the peptide bond for 1 residues |
| 2959 | | |
| 2960 | | > select clear |
| 2961 | | |
| 2962 | | [Repeated 1 time(s)] |
| 2963 | | |
| 2964 | | > isolde pepflip sel |
| 2965 | | |
| 2966 | | Flipping the peptide bond for 1 residues |
| 2967 | | |
| 2968 | | > isolde pepflip sel |
| 2969 | | |
| 2970 | | Flipping the peptide bond for 1 residues |
| 2971 | | |
| 2972 | | > select clear |
| 2973 | | |
| 2974 | | [Repeated 3 time(s)] |
| 2975 | | |
| 2976 | | > isolde pepflip sel |
| 2977 | | |
| 2978 | | Flipping the peptide bond for 1 residues |
| 2979 | | |
| 2980 | | > isolde sim stop |
| 2981 | | |
| 2982 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 2983 | | chains... |
| 2984 | | ISOLDE: stopped sim |
| 2985 | | |
| 2986 | | > isolde sim start sel |
| 2987 | | |
| 2988 | | ISOLDE: started sim |
| 2989 | | |
| 2990 | | > ui tool show "Ramachandran Plot" |
| 2991 | | |
| 2992 | | > style #1/r:116|/r:112 sphere |
| 2993 | | |
| 2994 | | Changed 41 atom styles |
| 2995 | | |
| 2996 | | > style #1/r:116|/r:112|/r:113 sphere |
| 2997 | | |
| 2998 | | Changed 53 atom styles |
| 2999 | | |
| 3000 | | > select clear |
| 3001 | | |
| 3002 | | > style #1/r:116|/r:112|/r:113 stick |
| 3003 | | |
| 3004 | | Changed 53 atom styles |
| 3005 | | |
| 3006 | | > select clear |
| 3007 | | |
| 3008 | | [Repeated 1 time(s)] |
| 3009 | | |
| 3010 | | > ui tool show "Ramachandran Plot" |
| 3011 | | |
| 3012 | | > isolde pepflip sel |
| 3013 | | |
| 3014 | | Flipping the peptide bond for 1 residues |
| 3015 | | |
| 3016 | | > select clear |
| 3017 | | |
| 3018 | | > isolde pepflip sel |
| 3019 | | |
| 3020 | | Flipping the peptide bond for 1 residues |
| 3021 | | |
| 3022 | | > select clear |
| 3023 | | |
| 3024 | | > ui tool show "Ramachandran Plot" |
| 3025 | | |
| 3026 | | [Repeated 1 time(s)] |
| 3027 | | |
| 3028 | | > isolde pepflip sel |
| 3029 | | |
| 3030 | | Flipping the peptide bond for 1 residues |
| 3031 | | |
| 3032 | | > select clear |
| 3033 | | |
| 3034 | | > isolde pepflip sel |
| 3035 | | |
| 3036 | | Flipping the peptide bond for 1 residues |
| 3037 | | |
| 3038 | | > select clear |
| 3039 | | |
| 3040 | | > ui tool show "Ramachandran Plot" |
| 3041 | | |
| 3042 | | > select clear |
| 3043 | | |
| 3044 | | > ui tool show "Ramachandran Plot" |
| 3045 | | |
| 3046 | | [Repeated 1 time(s)] |
| 3047 | | |
| 3048 | | > select clear |
| 3049 | | |
| 3050 | | > isolde sim stop |
| 3051 | | |
| 3052 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3053 | | chains... |
| 3054 | | ISOLDE: stopped sim |
| 3055 | | |
| 3056 | | > isolde sim start sel |
| 3057 | | |
| 3058 | | ISOLDE: started sim |
| 3059 | | |
| 3060 | | > isolde sim stop |
| 3061 | | |
| 3062 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3063 | | chains... |
| 3064 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 3065 | | standards. |
| 3066 | | ISOLDE: stopped sim |
| 3067 | | |
| 3068 | | > view #1/r:121 |
| 3069 | | |
| 3070 | | > select #1/r:121 |
| 3071 | | |
| 3072 | | 21 atoms, 21 bonds, 1 residue, 1 model selected |
| 3073 | | |
| 3074 | | > isolde sim start sel |
| 3075 | | |
| 3076 | | ISOLDE: started sim |
| 3077 | | |
| 3078 | | > select clear |
| 3079 | | |
| 3080 | | [Repeated 3 time(s)] |
| 3081 | | |
| 3082 | | > isolde pepflip sel |
| 3083 | | |
| 3084 | | Flipping the peptide bond for 1 residues |
| 3085 | | |
| 3086 | | > isolde pepflip sel |
| 3087 | | |
| 3088 | | Flipping the peptide bond for 1 residues |
| 3089 | | |
| 3090 | | > select clear |
| 3091 | | |
| 3092 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 3093 | | |
| 3094 | | > isolde pepflip sel |
| 3095 | | |
| 3096 | | Flipping the peptide bond for 1 residues |
| 3097 | | |
| 3098 | | > isolde pepflip sel |
| 3099 | | |
| 3100 | | Flipping the peptide bond for 1 residues |
| 3101 | | |
| 3102 | | > select clear |
| 3103 | | |
| 3104 | | > isolde pepflip sel |
| 3105 | | |
| 3106 | | Flipping the peptide bond for 1 residues |
| 3107 | | |
| 3108 | | > isolde pepflip sel |
| 3109 | | |
| 3110 | | Flipping the peptide bond for 1 residues |
| 3111 | | |
| 3112 | | > select clear |
| 3113 | | |
| 3114 | | [Repeated 2 time(s)] |
| 3115 | | |
| 3116 | | > ui tool show "Ramachandran Plot" |
| 3117 | | |
| 3118 | | > isolde pepflip sel |
| 3119 | | |
| 3120 | | Flipping the peptide bond for 1 residues |
| 3121 | | |
| 3122 | | > select clear |
| 3123 | | |
| 3124 | | [Repeated 2 time(s)] |
| 3125 | | |
| 3126 | | > isolde pepflip sel |
| 3127 | | |
| 3128 | | Flipping the peptide bond for 1 residues |
| 3129 | | |
| 3130 | | > select clear |
| 3131 | | |
| 3132 | | > isolde pepflip sel |
| 3133 | | |
| 3134 | | Flipping the peptide bond for 1 residues |
| 3135 | | |
| 3136 | | > isolde pepflip sel |
| 3137 | | |
| 3138 | | Flipping the peptide bond for 1 residues |
| 3139 | | |
| 3140 | | > select clear |
| 3141 | | |
| 3142 | | > ui tool show "Ramachandran Plot" |
| 3143 | | |
| 3144 | | [Repeated 2 time(s)] |
| 3145 | | |
| 3146 | | > isolde sim stop |
| 3147 | | |
| 3148 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3149 | | chains... |
| 3150 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 3151 | | standards. |
| 3152 | | ISOLDE: stopped sim |
| 3153 | | |
| 3154 | | > isolde sim start sel |
| 3155 | | |
| 3156 | | ISOLDE: started sim |
| 3157 | | |
| 3158 | | > select clear |
| 3159 | | |
| 3160 | | > isolde pepflip sel |
| 3161 | | |
| 3162 | | Flipping the peptide bond for 1 residues |
| 3163 | | |
| 3164 | | > select clear |
| 3165 | | |
| 3166 | | > isolde sim stop |
| 3167 | | |
| 3168 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3169 | | chains... |
| 3170 | | ISOLDE: stopped sim |
| 3171 | | |
| 3172 | | > view #1/r:121 |
| 3173 | | |
| 3174 | | > select #1/r:121 |
| 3175 | | |
| 3176 | | 21 atoms, 21 bonds, 1 residue, 1 model selected |
| 3177 | | |
| 3178 | | > isolde sim start sel |
| 3179 | | |
| 3180 | | ISOLDE: started sim |
| 3181 | | |
| 3182 | | > ui tool show "Ramachandran Plot" |
| 3183 | | |
| 3184 | | > isolde sim stop |
| 3185 | | |
| 3186 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3187 | | chains... |
| 3188 | | ISOLDE: stopped sim |
| 3189 | | |
| 3190 | | > isolde sim start sel |
| 3191 | | |
| 3192 | | ISOLDE: started sim |
| 3193 | | |
| 3194 | | > isolde sim stop |
| 3195 | | |
| 3196 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3197 | | chains... |
| 3198 | | ISOLDE: stopped sim |
| 3199 | | |
| 3200 | | > isolde pepflip sel |
| 3201 | | |
| 3202 | | Flipping the peptide bond for 1 residues |
| 3203 | | ISOLDE: started sim |
| 3204 | | |
| 3205 | | > isolde pepflip sel |
| 3206 | | |
| 3207 | | Flipping the peptide bond for 1 residues |
| 3208 | | |
| 3209 | | > isolde pepflip sel |
| 3210 | | |
| 3211 | | Flipping the peptide bond for 1 residues |
| 3212 | | |
| 3213 | | > isolde pepflip sel |
| 3214 | | |
| 3215 | | Flipping the peptide bond for 1 residues |
| 3216 | | |
| 3217 | | > isolde pepflip sel |
| 3218 | | |
| 3219 | | Flipping the peptide bond for 1 residues |
| 3220 | | |
| 3221 | | > isolde pepflip sel |
| 3222 | | |
| 3223 | | Flipping the peptide bond for 1 residues |
| 3224 | | |
| 3225 | | > isolde pepflip sel |
| 3226 | | |
| 3227 | | Flipping the peptide bond for 1 residues |
| 3228 | | |
| 3229 | | > select clear |
| 3230 | | |
| 3231 | | > ui tool show "Ramachandran Plot" |
| 3232 | | |
| 3233 | | > select #1/O:9 |
| 3234 | | |
| 3235 | | 20 atoms, 20 bonds, 1 residue, 1 model selected |
| 3236 | | |
| 3237 | | > ui tool show "Ramachandran Plot" |
| 3238 | | |
| 3239 | | > select clear |
| 3240 | | |
| 3241 | | [Repeated 2 time(s)] |
| 3242 | | |
| 3243 | | > isolde pepflip sel |
| 3244 | | |
| 3245 | | Flipping the peptide bond for 1 residues |
| 3246 | | |
| 3247 | | > select clear |
| 3248 | | |
| 3249 | | > isolde pepflip sel |
| 3250 | | |
| 3251 | | Flipping the peptide bond for 1 residues |
| 3252 | | |
| 3253 | | > isolde pepflip sel |
| 3254 | | |
| 3255 | | Flipping the peptide bond for 1 residues |
| 3256 | | |
| 3257 | | > select clear |
| 3258 | | |
| 3259 | | [Repeated 3 time(s)] |
| 3260 | | |
| 3261 | | > isolde pepflip sel |
| 3262 | | |
| 3263 | | Flipping the peptide bond for 1 residues |
| 3264 | | |
| 3265 | | > select clear |
| 3266 | | |
| 3267 | | > ui tool show "Ramachandran Plot" |
| 3268 | | |
| 3269 | | [Repeated 1 time(s)] |
| 3270 | | |
| 3271 | | > select clear |
| 3272 | | |
| 3273 | | [Repeated 1 time(s)] |
| 3274 | | |
| 3275 | | > isolde pepflip sel |
| 3276 | | |
| 3277 | | Flipping the peptide bond for 1 residues |
| 3278 | | |
| 3279 | | > select clear |
| 3280 | | |
| 3281 | | > ui tool show "Ramachandran Plot" |
| 3282 | | |
| 3283 | | > isolde pepflip sel |
| 3284 | | |
| 3285 | | Flipping the peptide bond for 1 residues |
| 3286 | | |
| 3287 | | > isolde pepflip sel |
| 3288 | | |
| 3289 | | Flipping the peptide bond for 1 residues |
| 3290 | | |
| 3291 | | > isolde pepflip sel |
| 3292 | | |
| 3293 | | Flipping the peptide bond for 1 residues |
| 3294 | | |
| 3295 | | > isolde pepflip sel |
| 3296 | | |
| 3297 | | Flipping the peptide bond for 1 residues |
| 3298 | | |
| 3299 | | > select clear |
| 3300 | | |
| 3301 | | > isolde pepflip sel |
| 3302 | | |
| 3303 | | Flipping the peptide bond for 1 residues |
| 3304 | | |
| 3305 | | > isolde pepflip sel |
| 3306 | | |
| 3307 | | Flipping the peptide bond for 1 residues |
| 3308 | | |
| 3309 | | > select clear |
| 3310 | | |
| 3311 | | > isolde pepflip sel |
| 3312 | | |
| 3313 | | Flipping the peptide bond for 1 residues |
| 3314 | | |
| 3315 | | > isolde pepflip sel |
| 3316 | | |
| 3317 | | Flipping the peptide bond for 1 residues |
| 3318 | | |
| 3319 | | > select clear |
| 3320 | | |
| 3321 | | [Repeated 1 time(s)] |
| 3322 | | |
| 3323 | | > isolde pepflip sel |
| 3324 | | |
| 3325 | | Flipping the peptide bond for 1 residues |
| 3326 | | |
| 3327 | | > isolde pepflip sel |
| 3328 | | |
| 3329 | | Flipping the peptide bond for 1 residues |
| 3330 | | |
| 3331 | | > isolde pepflip sel |
| 3332 | | |
| 3333 | | Flipping the peptide bond for 1 residues |
| 3334 | | |
| 3335 | | > isolde pepflip sel |
| 3336 | | |
| 3337 | | Flipping the peptide bond for 1 residues |
| 3338 | | |
| 3339 | | > isolde pepflip sel |
| 3340 | | |
| 3341 | | Flipping the peptide bond for 1 residues |
| 3342 | | |
| 3343 | | > isolde pepflip sel |
| 3344 | | |
| 3345 | | Flipping the peptide bond for 1 residues |
| 3346 | | |
| 3347 | | > isolde pepflip sel |
| 3348 | | |
| 3349 | | Flipping the peptide bond for 1 residues |
| 3350 | | |
| 3351 | | > isolde sim stop |
| 3352 | | |
| 3353 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3354 | | chains... |
| 3355 | | ISOLDE: stopped sim |
| 3356 | | |
| 3357 | | > select #1 |
| 3358 | | |
| 3359 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 3360 | | |
| 3361 | | > select #1>O8-13 |
| 3362 | | |
| 3363 | | Expected an objects specifier or a keyword |
| 3364 | | |
| 3365 | | > select #1/O:8-13 |
| 3366 | | |
| 3367 | | 110 atoms, 112 bonds, 6 residues, 1 model selected |
| 3368 | | |
| 3369 | | > select #1/O:10-11 |
| 3370 | | |
| 3371 | | 36 atoms, 35 bonds, 2 residues, 1 model selected |
| 3372 | | |
| 3373 | | > isolde sim start sel |
| 3374 | | |
| 3375 | | ISOLDE: started sim |
| 3376 | | |
| 3377 | | > isolde pepflip sel |
| 3378 | | |
| 3379 | | Flipping the peptide bond for 1 residues |
| 3380 | | |
| 3381 | | > isolde pepflip sel |
| 3382 | | |
| 3383 | | Flipping the peptide bond for 1 residues |
| 3384 | | |
| 3385 | | > isolde pepflip sel |
| 3386 | | |
| 3387 | | Flipping the peptide bond for 1 residues |
| 3388 | | |
| 3389 | | > isolde pepflip sel |
| 3390 | | |
| 3391 | | Flipping the peptide bond for 1 residues |
| 3392 | | |
| 3393 | | > select clear |
| 3394 | | |
| 3395 | | > isolde pepflip sel |
| 3396 | | |
| 3397 | | Flipping the peptide bond for 1 residues |
| 3398 | | |
| 3399 | | > isolde pepflip sel |
| 3400 | | |
| 3401 | | Flipping the peptide bond for 1 residues |
| 3402 | | |
| 3403 | | > isolde sim stop |
| 3404 | | |
| 3405 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3406 | | chains... |
| 3407 | | ISOLDE: stopped sim |
| 3408 | | |
| 3409 | | > select #1 |
| 3410 | | |
| 3411 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 3412 | | |
| 3413 | | > select #1/r:58-64|/O:1-15 |
| 3414 | | |
| 3415 | | 358 atoms, 361 bonds, 22 residues, 1 model selected |
| 3416 | | |
| 3417 | | > isolde sim start sel |
| 3418 | | |
| 3419 | | ISOLDE: started sim |
| 3420 | | |
| 3421 | | > select clear |
| 3422 | | |
| 3423 | | > isolde pepflip sel |
| 3424 | | |
| 3425 | | Flipping the peptide bond for 1 residues |
| 3426 | | |
| 3427 | | > isolde pepflip sel |
| 3428 | | |
| 3429 | | Flipping the peptide bond for 1 residues |
| 3430 | | |
| 3431 | | > isolde pepflip sel |
| 3432 | | |
| 3433 | | Flipping the peptide bond for 1 residues |
| 3434 | | |
| 3435 | | > isolde pepflip sel |
| 3436 | | |
| 3437 | | Flipping the peptide bond for 1 residues |
| 3438 | | |
| 3439 | | > isolde pepflip sel |
| 3440 | | |
| 3441 | | Flipping the peptide bond for 1 residues |
| 3442 | | |
| 3443 | | > isolde pepflip sel |
| 3444 | | |
| 3445 | | Flipping the peptide bond for 1 residues |
| 3446 | | |
| 3447 | | > select clear |
| 3448 | | |
| 3449 | | > isolde pepflip sel |
| 3450 | | |
| 3451 | | Flipping the peptide bond for 1 residues |
| 3452 | | |
| 3453 | | > isolde pepflip sel |
| 3454 | | |
| 3455 | | Flipping the peptide bond for 1 residues |
| 3456 | | |
| 3457 | | > select clear |
| 3458 | | |
| 3459 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 3460 | | |
| 3461 | | > ui tool show "Ramachandran Plot" |
| 3462 | | |
| 3463 | | > select clear |
| 3464 | | |
| 3465 | | > isolde pepflip sel |
| 3466 | | |
| 3467 | | Flipping the peptide bond for 1 residues |
| 3468 | | |
| 3469 | | > select clear |
| 3470 | | |
| 3471 | | [Repeated 1 time(s)] |
| 3472 | | |
| 3473 | | > ui tool show "Ramachandran Plot" |
| 3474 | | |
| 3475 | | > view sel |
| 3476 | | |
| 3477 | | > isolde sim stop |
| 3478 | | |
| 3479 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3480 | | chains... |
| 3481 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 3482 | | standards. |
| 3483 | | ISOLDE: stopped sim |
| 3484 | | |
| 3485 | | > isolde sim start sel |
| 3486 | | |
| 3487 | | ISOLDE: started sim |
| 3488 | | |
| 3489 | | > select clear |
| 3490 | | |
| 3491 | | > isolde pepflip sel |
| 3492 | | |
| 3493 | | Flipping the peptide bond for 1 residues |
| 3494 | | |
| 3495 | | > isolde pepflip sel |
| 3496 | | |
| 3497 | | Flipping the peptide bond for 1 residues |
| 3498 | | |
| 3499 | | > isolde pepflip sel |
| 3500 | | |
| 3501 | | Flipping the peptide bond for 1 residues |
| 3502 | | |
| 3503 | | > isolde pepflip sel |
| 3504 | | |
| 3505 | | Flipping the peptide bond for 1 residues |
| 3506 | | |
| 3507 | | > select clear |
| 3508 | | |
| 3509 | | > isolde pepflip sel |
| 3510 | | |
| 3511 | | Flipping the peptide bond for 1 residues |
| 3512 | | |
| 3513 | | > isolde pepflip sel |
| 3514 | | |
| 3515 | | Flipping the peptide bond for 1 residues |
| 3516 | | |
| 3517 | | > isolde pepflip sel |
| 3518 | | |
| 3519 | | Flipping the peptide bond for 1 residues |
| 3520 | | |
| 3521 | | > isolde sim stop |
| 3522 | | |
| 3523 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3524 | | chains... |
| 3525 | | ISOLDE: stopped sim |
| 3526 | | |
| 3527 | | > isolde sim start sel |
| 3528 | | |
| 3529 | | ISOLDE: started sim |
| 3530 | | |
| 3531 | | > select clear |
| 3532 | | |
| 3533 | | > isolde pepflip sel |
| 3534 | | |
| 3535 | | Flipping the peptide bond for 1 residues |
| 3536 | | |
| 3537 | | > isolde pepflip sel |
| 3538 | | |
| 3539 | | Flipping the peptide bond for 1 residues |
| 3540 | | |
| 3541 | | > select clear |
| 3542 | | |
| 3543 | | > select #1/r:58-64|/O:1-15 |
| 3544 | | |
| 3545 | | 358 atoms, 361 bonds, 22 residues, 1 model selected |
| 3546 | | |
| 3547 | | > select #1/r:42 |
| 3548 | | |
| 3549 | | 16 atoms, 15 bonds, 1 residue, 1 model selected |
| 3550 | | |
| 3551 | | > ui tool show "Ramachandran Plot" |
| 3552 | | |
| 3553 | | > isolde sim stop |
| 3554 | | |
| 3555 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3556 | | chains... |
| 3557 | | ISOLDE: stopped sim |
| 3558 | | |
| 3559 | | > view #1/r:42 |
| 3560 | | |
| 3561 | | > select #1/r:42 |
| 3562 | | |
| 3563 | | 16 atoms, 15 bonds, 1 residue, 1 model selected |
| 3564 | | |
| 3565 | | > isolde sim start sel |
| 3566 | | |
| 3567 | | ISOLDE: started sim |
| 3568 | | |
| 3569 | | > ui tool show "Ramachandran Plot" |
| 3570 | | |
| 3571 | | > isolde sim stop |
| 3572 | | |
| 3573 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3574 | | chains... |
| 3575 | | ISOLDE: stopped sim |
| 3576 | | |
| 3577 | | > view #1/r:58-64|/O:1-15 |
| 3578 | | |
| 3579 | | > select #1/r:58-64|/O:1-15 |
| 3580 | | |
| 3581 | | 358 atoms, 361 bonds, 22 residues, 1 model selected |
| 3582 | | |
| 3583 | | > isolde sim start sel |
| 3584 | | |
| 3585 | | ISOLDE: started sim |
| 3586 | | |
| 3587 | | > ui tool show "Ramachandran Plot" |
| 3588 | | |
| 3589 | | > select clear |
| 3590 | | |
| 3591 | | > isolde sim stop |
| 3592 | | |
| 3593 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3594 | | chains... |
| 3595 | | ISOLDE: stopped sim |
| 3596 | | |
| 3597 | | > view #1/O:10 |
| 3598 | | |
| 3599 | | > select#1/O:10 |
| 3600 | | |
| 3601 | | Unknown command: select#1/O:10 |
| 3602 | | |
| 3603 | | > select #1/O:10 |
| 3604 | | |
| 3605 | | 14 atoms, 13 bonds, 1 residue, 1 model selected |
| 3606 | | |
| 3607 | | > select #1/O:10 |
| 3608 | | |
| 3609 | | 14 atoms, 13 bonds, 1 residue, 1 model selected |
| 3610 | | |
| 3611 | | > isolde sim start sel |
| 3612 | | |
| 3613 | | ISOLDE: started sim |
| 3614 | | |
| 3615 | | > ui tool show "Ramachandran Plot" |
| 3616 | | |
| 3617 | | > select clear |
| 3618 | | |
| 3619 | | > isolde sim stop |
| 3620 | | |
| 3621 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3622 | | chains... |
| 3623 | | ISOLDE: stopped sim |
| 3624 | | |
| 3625 | | > select #1/O:10 |
| 3626 | | |
| 3627 | | 14 atoms, 13 bonds, 1 residue, 1 model selected |
| 3628 | | |
| 3629 | | > isolde sim start sel |
| 3630 | | |
| 3631 | | ISOLDE: started sim |
| 3632 | | |
| 3633 | | > isolde sim stop |
| 3634 | | |
| 3635 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3636 | | chains... |
| 3637 | | ISOLDE: stopped sim |
| 3638 | | |
| 3639 | | > isolde sim start sel |
| 3640 | | |
| 3641 | | ISOLDE: started sim |
| 3642 | | |
| 3643 | | > select clear |
| 3644 | | |
| 3645 | | > ui tool show "Ramachandran Plot" |
| 3646 | | |
| 3647 | | [Repeated 1 time(s)] |
| 3648 | | |
| 3649 | | > select clear |
| 3650 | | |
| 3651 | | [Repeated 6 time(s)] |
| 3652 | | |
| 3653 | | > ui tool show "Ramachandran Plot" |
| 3654 | | |
| 3655 | | > isolde sim stop |
| 3656 | | |
| 3657 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3658 | | chains... |
| 3659 | | ISOLDE: stopped sim |
| 3660 | | |
| 3661 | | > isolde sim start sel |
| 3662 | | |
| 3663 | | ISOLDE: started sim |
| 3664 | | |
| 3665 | | > isolde pepflip sel |
| 3666 | | |
| 3667 | | Flipping the peptide bond for 1 residues |
| 3668 | | |
| 3669 | | > select clear |
| 3670 | | |
| 3671 | | > isolde pepflip sel |
| 3672 | | |
| 3673 | | Flipping the peptide bond for 1 residues |
| 3674 | | |
| 3675 | | > isolde pepflip sel |
| 3676 | | |
| 3677 | | Flipping the peptide bond for 1 residues |
| 3678 | | |
| 3679 | | > select clear |
| 3680 | | |
| 3681 | | [Repeated 1 time(s)] |
| 3682 | | |
| 3683 | | > ui tool show "Ramachandran Plot" |
| 3684 | | |
| 3685 | | [Repeated 1 time(s)] |
| 3686 | | |
| 3687 | | > select clear |
| 3688 | | |
| 3689 | | [Repeated 1 time(s)] |
| 3690 | | |
| 3691 | | > isolde pepflip sel |
| 3692 | | |
| 3693 | | Flipping the peptide bond for 1 residues |
| 3694 | | |
| 3695 | | > isolde pepflip sel |
| 3696 | | |
| 3697 | | Flipping the peptide bond for 1 residues |
| 3698 | | |
| 3699 | | > select clear |
| 3700 | | |
| 3701 | | > isolde sim pause |
| 3702 | | |
| 3703 | | > select #1 |
| 3704 | | |
| 3705 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 3706 | | |
| 3707 | | > select #1/u:8-9 |
| 3708 | | |
| 3709 | | 34 atoms, 33 bonds, 2 residues, 1 model selected |
| 3710 | | |
| 3711 | | > isolde sim resume |
| 3712 | | |
| 3713 | | > isolde pepflip sel |
| 3714 | | |
| 3715 | | Flipping the peptide bond for 1 residues |
| 3716 | | |
| 3717 | | > select clear |
| 3718 | | |
| 3719 | | > select #1 |
| 3720 | | |
| 3721 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 3722 | | |
| 3723 | | > isolde sim stop |
| 3724 | | |
| 3725 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3726 | | chains... |
| 3727 | | ISOLDE: stopped sim |
| 3728 | | |
| 3729 | | > select #1/u:60-65|/u:8-12 |
| 3730 | | |
| 3731 | | 180 atoms, 180 bonds, 11 residues, 1 model selected |
| 3732 | | |
| 3733 | | > isolde sim start sel |
| 3734 | | |
| 3735 | | ISOLDE: started sim |
| 3736 | | |
| 3737 | | > isolde pepflip sel |
| 3738 | | |
| 3739 | | Flipping the peptide bond for 1 residues |
| 3740 | | |
| 3741 | | > isolde pepflip sel |
| 3742 | | |
| 3743 | | Flipping the peptide bond for 1 residues |
| 3744 | | |
| 3745 | | > isolde pepflip sel |
| 3746 | | |
| 3747 | | Flipping the peptide bond for 1 residues |
| 3748 | | |
| 3749 | | > isolde pepflip sel |
| 3750 | | |
| 3751 | | Flipping the peptide bond for 1 residues |
| 3752 | | |
| 3753 | | > isolde pepflip sel |
| 3754 | | |
| 3755 | | Flipping the peptide bond for 1 residues |
| 3756 | | |
| 3757 | | > select clear |
| 3758 | | |
| 3759 | | [Repeated 1 time(s)] |
| 3760 | | |
| 3761 | | > isolde pepflip sel |
| 3762 | | |
| 3763 | | Flipping the peptide bond for 1 residues |
| 3764 | | |
| 3765 | | > isolde pepflip sel |
| 3766 | | |
| 3767 | | Flipping the peptide bond for 1 residues |
| 3768 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 3769 | | |
| 3770 | | > isolde pepflip sel |
| 3771 | | |
| 3772 | | Flipping the peptide bond for 1 residues |
| 3773 | | |
| 3774 | | > isolde pepflip sel |
| 3775 | | |
| 3776 | | Flipping the peptide bond for 1 residues |
| 3777 | | |
| 3778 | | > select clear |
| 3779 | | |
| 3780 | | [Repeated 1 time(s)] |
| 3781 | | |
| 3782 | | > isolde sim stop |
| 3783 | | |
| 3784 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3785 | | chains... |
| 3786 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 3787 | | standards. |
| 3788 | | ISOLDE: stopped sim |
| 3789 | | |
| 3790 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 3791 | | > mut8-no-C-ter/10-KSRP-no-C-ter-Step1-tenthSubsteps.cxs |
| 3792 | | |
| 3793 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 3794 | | |
| 3795 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 3796 | | > mut8-no-C-ter/10-KSRP-no-C-ter-Step1-tenthSubsteps.pdb |
| 3797 | | |
| 3798 | | > select #1/u:47-54 |
| 3799 | | |
| 3800 | | 123 atoms, 122 bonds, 8 residues, 1 model selected |
| 3801 | | |
| 3802 | | > select clear |
| 3803 | | |
| 3804 | | > select #1/u:57-67 |
| 3805 | | |
| 3806 | | 162 atoms, 161 bonds, 11 residues, 1 model selected |
| 3807 | | |
| 3808 | | > isolde sim start sel |
| 3809 | | |
| 3810 | | ISOLDE: started sim |
| 3811 | | |
| 3812 | | > select #1/u:57-67 |
| 3813 | | |
| 3814 | | 162 atoms, 161 bonds, 11 residues, 1 model selected |
| 3815 | | |
| 3816 | | > hide #!1.2 models |
| 3817 | | |
| 3818 | | > show #!1.2 models |
| 3819 | | |
| 3820 | | > hide #!1.2 models |
| 3821 | | |
| 3822 | | > show #!1.2 models |
| 3823 | | |
| 3824 | | > hide #!1.2 models |
| 3825 | | |
| 3826 | | > show #!1.2 models |
| 3827 | | |
| 3828 | | > isolde sim stop |
| 3829 | | |
| 3830 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3831 | | chains... |
| 3832 | | ISOLDE: Corrected atom nomenclature of 6 residues in model #1.2 to IUPAC-IUB |
| 3833 | | standards. |
| 3834 | | ISOLDE: stopped sim |
| 3835 | | |
| 3836 | | > select #1/u:57-67 |
| 3837 | | |
| 3838 | | 162 atoms, 161 bonds, 11 residues, 1 model selected |
| 3839 | | |
| 3840 | | > select #1/u:57-71 |
| 3841 | | |
| 3842 | | 223 atoms, 222 bonds, 15 residues, 1 model selected |
| 3843 | | |
| 3844 | | > isolde sim start sel |
| 3845 | | |
| 3846 | | ISOLDE: started sim |
| 3847 | | |
| 3848 | | > isolde pepflip sel |
| 3849 | | |
| 3850 | | Flipping the peptide bond for 1 residues |
| 3851 | | |
| 3852 | | > isolde pepflip sel |
| 3853 | | |
| 3854 | | Flipping the peptide bond for 1 residues |
| 3855 | | |
| 3856 | | > isolde pepflip sel |
| 3857 | | |
| 3858 | | Flipping the peptide bond for 1 residues |
| 3859 | | |
| 3860 | | > isolde pepflip sel |
| 3861 | | |
| 3862 | | Flipping the peptide bond for 1 residues |
| 3863 | | |
| 3864 | | > isolde pepflip sel |
| 3865 | | |
| 3866 | | Flipping the peptide bond for 1 residues |
| 3867 | | |
| 3868 | | > isolde pepflip sel |
| 3869 | | |
| 3870 | | Flipping the peptide bond for 1 residues |
| 3871 | | |
| 3872 | | > isolde pepflip sel |
| 3873 | | |
| 3874 | | Flipping the peptide bond for 1 residues |
| 3875 | | |
| 3876 | | > isolde pepflip sel |
| 3877 | | |
| 3878 | | Flipping the peptide bond for 1 residues |
| 3879 | | |
| 3880 | | > isolde pepflip sel |
| 3881 | | |
| 3882 | | Flipping the peptide bond for 1 residues |
| 3883 | | |
| 3884 | | > isolde pepflip sel |
| 3885 | | |
| 3886 | | Flipping the peptide bond for 1 residues |
| 3887 | | |
| 3888 | | > isolde sim start sel |
| 3889 | | |
| 3890 | | Simulation already running! |
| 3891 | | |
| 3892 | | > isolde sim stop |
| 3893 | | |
| 3894 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3895 | | chains... |
| 3896 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 3897 | | standards. |
| 3898 | | ISOLDE: stopped sim |
| 3899 | | |
| 3900 | | > isolde sim start sel |
| 3901 | | |
| 3902 | | ISOLDE: started sim |
| 3903 | | |
| 3904 | | > isolde sim stop discardTo start |
| 3905 | | |
| 3906 | | reverting to start |
| 3907 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3908 | | chains... |
| 3909 | | ISOLDE: stopped sim |
| 3910 | | |
| 3911 | | > isolde sim start sel |
| 3912 | | |
| 3913 | | ISOLDE: started sim |
| 3914 | | |
| 3915 | | > isolde pepflip sel |
| 3916 | | |
| 3917 | | Flipping the peptide bond for 1 residues |
| 3918 | | |
| 3919 | | > isolde pepflip sel |
| 3920 | | |
| 3921 | | Flipping the peptide bond for 1 residues |
| 3922 | | |
| 3923 | | > isolde sim pause |
| 3924 | | |
| 3925 | | > isolde sim resume |
| 3926 | | |
| 3927 | | > isolde pepflip sel |
| 3928 | | |
| 3929 | | Flipping the peptide bond for 1 residues |
| 3930 | | |
| 3931 | | > select clear |
| 3932 | | |
| 3933 | | [Repeated 2 time(s)] |
| 3934 | | |
| 3935 | | > isolde pepflip sel |
| 3936 | | |
| 3937 | | Flipping the peptide bond for 1 residues |
| 3938 | | |
| 3939 | | > isolde sim stop |
| 3940 | | |
| 3941 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3942 | | chains... |
| 3943 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 3944 | | standards. |
| 3945 | | ISOLDE: stopped sim |
| 3946 | | |
| 3947 | | > isolde sim start sel |
| 3948 | | |
| 3949 | | ISOLDE: started sim |
| 3950 | | |
| 3951 | | > select clear |
| 3952 | | |
| 3953 | | [Repeated 5 time(s)] |
| 3954 | | |
| 3955 | | > isolde sim stop |
| 3956 | | |
| 3957 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3958 | | chains... |
| 3959 | | ISOLDE: stopped sim |
| 3960 | | |
| 3961 | | > select clear |
| 3962 | | |
| 3963 | | [Repeated 1 time(s)] |
| 3964 | | |
| 3965 | | > isolde sim start sel |
| 3966 | | |
| 3967 | | ISOLDE: started sim |
| 3968 | | |
| 3969 | | > isolde sim stop |
| 3970 | | |
| 3971 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3972 | | chains... |
| 3973 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 3974 | | standards. |
| 3975 | | ISOLDE: stopped sim |
| 3976 | | |
| 3977 | | > isolde sim start sel |
| 3978 | | |
| 3979 | | ISOLDE: started sim |
| 3980 | | |
| 3981 | | > isolde pepflip sel |
| 3982 | | |
| 3983 | | Flipping the peptide bond for 1 residues |
| 3984 | | |
| 3985 | | > isolde pepflip sel |
| 3986 | | |
| 3987 | | Flipping the peptide bond for 1 residues |
| 3988 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 3989 | | |
| 3990 | | > select clear |
| 3991 | | |
| 3992 | | [Repeated 2 time(s)] |
| 3993 | | |
| 3994 | | > isolde pepflip sel |
| 3995 | | |
| 3996 | | Flipping the peptide bond for 1 residues |
| 3997 | | Peptide bond must be mobile in the simulation! |
| 3998 | | |
| 3999 | | > select clear |
| 4000 | | |
| 4001 | | > isolde pepflip sel |
| 4002 | | |
| 4003 | | Flipping the peptide bond for 1 residues |
| 4004 | | |
| 4005 | | > isolde pepflip sel |
| 4006 | | |
| 4007 | | Flipping the peptide bond for 1 residues |
| 4008 | | |
| 4009 | | > select clear |
| 4010 | | |
| 4011 | | [Repeated 1 time(s)] |
| 4012 | | |
| 4013 | | > isolde pepflip sel |
| 4014 | | |
| 4015 | | Flipping the peptide bond for 1 residues |
| 4016 | | |
| 4017 | | > isolde pepflip sel |
| 4018 | | |
| 4019 | | Flipping the peptide bond for 1 residues |
| 4020 | | |
| 4021 | | > select clear |
| 4022 | | |
| 4023 | | [Repeated 1 time(s)] |
| 4024 | | |
| 4025 | | > isolde pepflip sel |
| 4026 | | |
| 4027 | | Flipping the peptide bond for 1 residues |
| 4028 | | |
| 4029 | | > isolde pepflip sel |
| 4030 | | |
| 4031 | | Flipping the peptide bond for 1 residues |
| 4032 | | |
| 4033 | | > isolde pepflip sel |
| 4034 | | |
| 4035 | | Flipping the peptide bond for 1 residues |
| 4036 | | |
| 4037 | | > isolde pepflip sel |
| 4038 | | |
| 4039 | | Flipping the peptide bond for 1 residues |
| 4040 | | |
| 4041 | | > select clear |
| 4042 | | |
| 4043 | | [Repeated 2 time(s)] |
| 4044 | | |
| 4045 | | > isolde pepflip sel |
| 4046 | | |
| 4047 | | Flipping the peptide bond for 1 residues |
| 4048 | | |
| 4049 | | > isolde pepflip sel |
| 4050 | | |
| 4051 | | Flipping the peptide bond for 1 residues |
| 4052 | | |
| 4053 | | > isolde pepflip sel |
| 4054 | | |
| 4055 | | Flipping the peptide bond for 1 residues |
| 4056 | | |
| 4057 | | > select clear |
| 4058 | | |
| 4059 | | > ui tool show "Ramachandran Plot" |
| 4060 | | |
| 4061 | | > select clear |
| 4062 | | |
| 4063 | | > isolde pepflip sel |
| 4064 | | |
| 4065 | | Flipping the peptide bond for 1 residues |
| 4066 | | |
| 4067 | | > ui tool show "Ramachandran Plot" |
| 4068 | | |
| 4069 | | > isolde pepflip sel |
| 4070 | | |
| 4071 | | Flipping the peptide bond for 1 residues |
| 4072 | | |
| 4073 | | > select clear |
| 4074 | | |
| 4075 | | > isolde sim start sel |
| 4076 | | |
| 4077 | | No atoms selected! |
| 4078 | | |
| 4079 | | > ui tool show "Ramachandran Plot" |
| 4080 | | |
| 4081 | | > isolde pepflip sel |
| 4082 | | |
| 4083 | | Flipping the peptide bond for 1 residues |
| 4084 | | |
| 4085 | | > ui tool show "Ramachandran Plot" |
| 4086 | | |
| 4087 | | Traceback (most recent call last): |
| 4088 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 4089 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 4090 | | func(*args, **kwargs) |
| 4091 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 4092 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 4093 | | on_resize |
| 4094 | | c.draw() |
| 4095 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 4096 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 4097 | | self.figure.draw(self.renderer) |
| 4098 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 4099 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 4100 | | result = draw(artist, renderer, *args, **kwargs) |
| 4101 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 4102 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 4103 | | return draw(artist, renderer) |
| 4104 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 4105 | | packages/matplotlib/figure.py", line 2796, in draw |
| 4106 | | artists = self._get_draw_artists(renderer) |
| 4107 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 4108 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 4109 | | ax.apply_aspect() |
| 4110 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 4111 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 4112 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 4113 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 4114 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 4115 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 4116 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 4117 | | |
| 4118 | | > select clear |
| 4119 | | |
| 4120 | | [Repeated 1 time(s)] |
| 4121 | | |
| 4122 | | > isolde pepflip sel |
| 4123 | | |
| 4124 | | Flipping the peptide bond for 1 residues |
| 4125 | | |
| 4126 | | > isolde pepflip sel |
| 4127 | | |
| 4128 | | Flipping the peptide bond for 1 residues |
| 4129 | | |
| 4130 | | > select clear |
| 4131 | | |
| 4132 | | [Repeated 1 time(s)] |
| 4133 | | |
| 4134 | | > isolde pepflip sel |
| 4135 | | |
| 4136 | | Flipping the peptide bond for 1 residues |
| 4137 | | |
| 4138 | | > isolde pepflip sel |
| 4139 | | |
| 4140 | | Flipping the peptide bond for 1 residues |
| 4141 | | |
| 4142 | | > select clear |
| 4143 | | |
| 4144 | | [Repeated 3 time(s)] |
| 4145 | | |
| 4146 | | > isolde pepflip sel |
| 4147 | | |
| 4148 | | Flipping the peptide bond for 1 residues |
| 4149 | | |
| 4150 | | > isolde pepflip sel |
| 4151 | | |
| 4152 | | Flipping the peptide bond for 1 residues |
| 4153 | | |
| 4154 | | > isolde pepflip sel |
| 4155 | | |
| 4156 | | Flipping the peptide bond for 1 residues |
| 4157 | | |
| 4158 | | > isolde pepflip sel |
| 4159 | | |
| 4160 | | Flipping the peptide bond for 1 residues |
| 4161 | | |
| 4162 | | > isolde pepflip sel |
| 4163 | | |
| 4164 | | Flipping the peptide bond for 1 residues |
| 4165 | | |
| 4166 | | > select clear |
| 4167 | | |
| 4168 | | [Repeated 2 time(s)] |
| 4169 | | |
| 4170 | | > select #1/u:57-71 |
| 4171 | | |
| 4172 | | 223 atoms, 222 bonds, 15 residues, 1 model selected |
| 4173 | | |
| 4174 | | > select #1/u:57-71 |
| 4175 | | |
| 4176 | | 223 atoms, 222 bonds, 15 residues, 1 model selected |
| 4177 | | |
| 4178 | | > select #1/u:57-67 |
| 4179 | | |
| 4180 | | 162 atoms, 161 bonds, 11 residues, 1 model selected |
| 4181 | | |
| 4182 | | > select clear |
| 4183 | | |
| 4184 | | > select #1/u:25 |
| 4185 | | |
| 4186 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 4187 | | |
| 4188 | | > view #1/u:25 |
| 4189 | | |
| 4190 | | > select clear |
| 4191 | | |
| 4192 | | [Repeated 1 time(s)] |
| 4193 | | |
| 4194 | | > ui tool show "Ramachandran Plot" |
| 4195 | | |
| 4196 | | > isolde sim stop |
| 4197 | | |
| 4198 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4199 | | chains... |
| 4200 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 4201 | | standards. |
| 4202 | | ISOLDE: stopped sim |
| 4203 | | |
| 4204 | | > isolde sim start sel |
| 4205 | | |
| 4206 | | ISOLDE: started sim |
| 4207 | | |
| 4208 | | > isolde pepflip sel |
| 4209 | | |
| 4210 | | Flipping the peptide bond for 1 residues |
| 4211 | | |
| 4212 | | > isolde pepflip sel |
| 4213 | | |
| 4214 | | Flipping the peptide bond for 1 residues |
| 4215 | | |
| 4216 | | > select clear |
| 4217 | | |
| 4218 | | [Repeated 4 time(s)] |
| 4219 | | |
| 4220 | | > isolde pepflip sel |
| 4221 | | |
| 4222 | | Flipping the peptide bond for 1 residues |
| 4223 | | |
| 4224 | | > isolde pepflip sel |
| 4225 | | |
| 4226 | | Flipping the peptide bond for 1 residues |
| 4227 | | |
| 4228 | | > select clear |
| 4229 | | |
| 4230 | | [Repeated 1 time(s)] |
| 4231 | | |
| 4232 | | > select #1/u:57-67 |
| 4233 | | |
| 4234 | | 162 atoms, 161 bonds, 11 residues, 1 model selected |
| 4235 | | |
| 4236 | | > select #1/u:28-42 |
| 4237 | | |
| 4238 | | 245 atoms, 247 bonds, 15 residues, 1 model selected |
| 4239 | | |
| 4240 | | > isolde sim stop |
| 4241 | | |
| 4242 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4243 | | chains... |
| 4244 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 4245 | | standards. |
| 4246 | | ISOLDE: stopped sim |
| 4247 | | |
| 4248 | | > style #1 ribbon |
| 4249 | | |
| 4250 | | Expected a keyword |
| 4251 | | |
| 4252 | | > select #1/u:57-67 |
| 4253 | | |
| 4254 | | 162 atoms, 161 bonds, 11 residues, 1 model selected |
| 4255 | | |
| 4256 | | > select #1/u:28-42 |
| 4257 | | |
| 4258 | | 245 atoms, 247 bonds, 15 residues, 1 model selected |
| 4259 | | |
| 4260 | | > isolde sim start sel |
| 4261 | | |
| 4262 | | ISOLDE: started sim |
| 4263 | | |
| 4264 | | > select #1/u:28-42 |
| 4265 | | |
| 4266 | | 245 atoms, 247 bonds, 15 residues, 1 model selected |
| 4267 | | |
| 4268 | | > select #1/o:53-56 |
| 4269 | | |
| 4270 | | 68 atoms, 67 bonds, 4 residues, 1 model selected |
| 4271 | | |
| 4272 | | > isolde sim stop |
| 4273 | | |
| 4274 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4275 | | chains... |
| 4276 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 4277 | | standards. |
| 4278 | | ISOLDE: stopped sim |
| 4279 | | |
| 4280 | | > select #1/u:28-42|/o:53-56|/u:43-47 |
| 4281 | | |
| 4282 | | 400 atoms, 402 bonds, 24 residues, 1 model selected |
| 4283 | | |
| 4284 | | > select #1/u:28-42|/o:53-56|/u:43-47 |
| 4285 | | |
| 4286 | | 400 atoms, 402 bonds, 24 residues, 1 model selected |
| 4287 | | |
| 4288 | | > isolde sim start sel |
| 4289 | | |
| 4290 | | ISOLDE: started sim |
| 4291 | | |
| 4292 | | > select clear |
| 4293 | | |
| 4294 | | > isolde pepflip sel |
| 4295 | | |
| 4296 | | Flipping the peptide bond for 1 residues |
| 4297 | | |
| 4298 | | > isolde pepflip sel |
| 4299 | | |
| 4300 | | Flipping the peptide bond for 1 residues |
| 4301 | | |
| 4302 | | > isolde pepflip sel |
| 4303 | | |
| 4304 | | Flipping the peptide bond for 1 residues |
| 4305 | | |
| 4306 | | > select clear |
| 4307 | | |
| 4308 | | > isolde pepflip sel |
| 4309 | | |
| 4310 | | Flipping the peptide bond for 1 residues |
| 4311 | | |
| 4312 | | > select clear |
| 4313 | | |
| 4314 | | > isolde pepflip sel |
| 4315 | | |
| 4316 | | Flipping the peptide bond for 1 residues |
| 4317 | | |
| 4318 | | > isolde pepflip sel |
| 4319 | | |
| 4320 | | Flipping the peptide bond for 1 residues |
| 4321 | | |
| 4322 | | > select clear |
| 4323 | | |
| 4324 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 4325 | | |
| 4326 | | > select clear |
| 4327 | | |
| 4328 | | > isolde pepflip sel |
| 4329 | | |
| 4330 | | Flipping the peptide bond for 1 residues |
| 4331 | | |
| 4332 | | > isolde pepflip sel |
| 4333 | | |
| 4334 | | Flipping the peptide bond for 1 residues |
| 4335 | | |
| 4336 | | > select clear |
| 4337 | | |
| 4338 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 4339 | | |
| 4340 | | > isolde pepflip sel |
| 4341 | | |
| 4342 | | Flipping the peptide bond for 1 residues |
| 4343 | | |
| 4344 | | > select clear |
| 4345 | | |
| 4346 | | > hide #!1.2 models |
| 4347 | | |
| 4348 | | > show #!1.2 models |
| 4349 | | |
| 4350 | | > hide #!1.2 models |
| 4351 | | |
| 4352 | | > show #!1.2 models |
| 4353 | | |
| 4354 | | > hide #!1.2 models |
| 4355 | | |
| 4356 | | > show #!1.2 models |
| 4357 | | |
| 4358 | | > isolde pepflip sel |
| 4359 | | |
| 4360 | | Flipping the peptide bond for 1 residues |
| 4361 | | |
| 4362 | | > isolde pepflip sel |
| 4363 | | |
| 4364 | | Flipping the peptide bond for 1 residues |
| 4365 | | |
| 4366 | | > isolde sim stop discardTo start |
| 4367 | | |
| 4368 | | [Repeated 1 time(s)]reverting to start |
| 4369 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4370 | | chains... |
| 4371 | | ISOLDE: stopped sim |
| 4372 | | |
| 4373 | | > select #1 |
| 4374 | | |
| 4375 | | 144428 atoms, 150209 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 4376 | | |
| 4377 | | > select clear |
| 4378 | | |
| 4379 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 4380 | | > mut8-no-C-ter/11-KSRP-no-C-ter-Step1-EleventhSubsteps.cxs |
| 4381 | | |
| 4382 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 4383 | | |
| 4384 | | ——— End of log from Thu Mar 9 08:50:34 2023 ——— |
| 4385 | | |
| 4386 | | opened ChimeraX session |
| 4387 | | |
| 4388 | | > select #1/u:28-42|/o:53-56|/u:43-47 |
| 4389 | | |
| 4390 | | 400 atoms, 402 bonds, 24 residues, 1 model selected |
| 4391 | | |
| 4392 | | > isolde sim start sel |
| 4393 | | |
| 4394 | | Launching using CUDA failed with the below message. Falling back to using |
| 4395 | | OpenCL. |
| 4396 | | |
| 4397 | | Error compiling program: nvrtc: error: invalid value for --gpu-architecture |
| 4398 | | (-arch) |
| 4399 | | |
| 4400 | | |
| 4401 | | ISOLDE: started sim |
| 4402 | | ISOLDE: created disulfide bonds between the following residues: |
| 4403 | | T78-T81 |
| 4404 | | |
| 4405 | | > isolde sim stop discardTo start |
| 4406 | | |
| 4407 | | reverting to start |
| 4408 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4409 | | chains... |
| 4410 | | ISOLDE: stopped sim |
| 4411 | | |
| 4412 | | > select #1/u:28-42|/o:53-56|/u:43-47 |
| 4413 | | |
| 4414 | | 400 atoms, 402 bonds, 24 residues, 1 model selected |
| 4415 | | |
| 4416 | | > isolde sim start sel |
| 4417 | | |
| 4418 | | ISOLDE: started sim |
| 4419 | | |
| 4420 | | > select #1/u:36-50 |
| 4421 | | |
| 4422 | | 229 atoms, 230 bonds, 15 residues, 1 model selected |
| 4423 | | |
| 4424 | | > isolde sim stop |
| 4425 | | |
| 4426 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4427 | | chains... |
| 4428 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 4429 | | standards. |
| 4430 | | ISOLDE: stopped sim |
| 4431 | | |
| 4432 | | > select #1/u:12 |
| 4433 | | |
| 4434 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 4435 | | |
| 4436 | | > view #1/u:12 |
| 4437 | | |
| 4438 | | > select #1/u:12 |
| 4439 | | |
| 4440 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 4441 | | |
| 4442 | | > isolde sim start sel |
| 4443 | | |
| 4444 | | ISOLDE: started sim |
| 4445 | | |
| 4446 | | > isolde sim stop |
| 4447 | | |
| 4448 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4449 | | chains... |
| 4450 | | ISOLDE: stopped sim |
| 4451 | | |
| 4452 | | > isolde sim start sel |
| 4453 | | |
| 4454 | | ISOLDE: started sim |
| 4455 | | |
| 4456 | | > isolde pepflip sel |
| 4457 | | |
| 4458 | | Flipping the peptide bond for 1 residues |
| 4459 | | |
| 4460 | | > isolde pepflip sel |
| 4461 | | |
| 4462 | | Flipping the peptide bond for 1 residues |
| 4463 | | |
| 4464 | | > select clear |
| 4465 | | |
| 4466 | | > ui tool show "Ramachandran Plot" |
| 4467 | | |
| 4468 | | > isolde sim stop |
| 4469 | | |
| 4470 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4471 | | chains... |
| 4472 | | ISOLDE: stopped sim |
| 4473 | | |
| 4474 | | > isolde sim start sel |
| 4475 | | |
| 4476 | | ISOLDE: started sim |
| 4477 | | |
| 4478 | | > isolde pepflip sel |
| 4479 | | |
| 4480 | | Flipping the peptide bond for 1 residues |
| 4481 | | |
| 4482 | | > select clear |
| 4483 | | |
| 4484 | | > isolde pepflip sel |
| 4485 | | |
| 4486 | | Flipping the peptide bond for 1 residues |
| 4487 | | |
| 4488 | | > isolde pepflip sel |
| 4489 | | |
| 4490 | | Flipping the peptide bond for 1 residues |
| 4491 | | |
| 4492 | | > select clear |
| 4493 | | |
| 4494 | | > isolde pepflip sel |
| 4495 | | |
| 4496 | | Flipping the peptide bond for 1 residues |
| 4497 | | |
| 4498 | | > isolde pepflip sel |
| 4499 | | |
| 4500 | | Flipping the peptide bond for 1 residues |
| 4501 | | |
| 4502 | | > isolde pepflip sel |
| 4503 | | |
| 4504 | | Flipping the peptide bond for 1 residues |
| 4505 | | |
| 4506 | | > select clear |
| 4507 | | |
| 4508 | | > isolde pepflip sel |
| 4509 | | |
| 4510 | | Flipping the peptide bond for 1 residues |
| 4511 | | |
| 4512 | | > select clear |
| 4513 | | |
| 4514 | | > ui tool show "Ramachandran Plot" |
| 4515 | | |
| 4516 | | [Repeated 1 time(s)] |
| 4517 | | |
| 4518 | | > isolde sim stop |
| 4519 | | |
| 4520 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4521 | | chains... |
| 4522 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 4523 | | standards. |
| 4524 | | ISOLDE: stopped sim |
| 4525 | | |
| 4526 | | > select #1/o:55 |
| 4527 | | |
| 4528 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 4529 | | |
| 4530 | | > isolde sim start sel |
| 4531 | | |
| 4532 | | ISOLDE: started sim |
| 4533 | | |
| 4534 | | > select clear |
| 4535 | | |
| 4536 | | [Repeated 5 time(s)] |
| 4537 | | |
| 4538 | | > isolde pepflip sel |
| 4539 | | |
| 4540 | | Flipping the peptide bond for 1 residues |
| 4541 | | |
| 4542 | | > isolde pepflip sel |
| 4543 | | |
| 4544 | | Flipping the peptide bond for 1 residues |
| 4545 | | |
| 4546 | | > isolde pepflip sel |
| 4547 | | |
| 4548 | | Flipping the peptide bond for 1 residues |
| 4549 | | |
| 4550 | | > isolde pepflip sel |
| 4551 | | |
| 4552 | | Flipping the peptide bond for 1 residues |
| 4553 | | |
| 4554 | | > isolde pepflip sel |
| 4555 | | |
| 4556 | | Flipping the peptide bond for 1 residues |
| 4557 | | |
| 4558 | | > isolde pepflip sel |
| 4559 | | |
| 4560 | | Flipping the peptide bond for 1 residues |
| 4561 | | |
| 4562 | | > select clear |
| 4563 | | |
| 4564 | | [Repeated 3 time(s)] |
| 4565 | | |
| 4566 | | > isolde pepflip sel |
| 4567 | | |
| 4568 | | Flipping the peptide bond for 1 residues |
| 4569 | | |
| 4570 | | > isolde pepflip sel |
| 4571 | | |
| 4572 | | Flipping the peptide bond for 1 residues |
| 4573 | | |
| 4574 | | > isolde pepflip sel |
| 4575 | | |
| 4576 | | Flipping the peptide bond for 1 residues |
| 4577 | | |
| 4578 | | > select clear |
| 4579 | | |
| 4580 | | > isolde pepflip sel |
| 4581 | | |
| 4582 | | Flipping the peptide bond for 1 residues |
| 4583 | | |
| 4584 | | > isolde pepflip sel |
| 4585 | | |
| 4586 | | Flipping the peptide bond for 1 residues |
| 4587 | | |
| 4588 | | > select clear |
| 4589 | | |
| 4590 | | > isolde pepflip sel |
| 4591 | | |
| 4592 | | Flipping the peptide bond for 1 residues |
| 4593 | | |
| 4594 | | > select clear |
| 4595 | | |
| 4596 | | > ui tool show "Ramachandran Plot" |
| 4597 | | |
| 4598 | | [Repeated 1 time(s)] |
| 4599 | | |
| 4600 | | > isolde pepflip sel |
| 4601 | | |
| 4602 | | Flipping the peptide bond for 1 residues |
| 4603 | | |
| 4604 | | > isolde pepflip sel |
| 4605 | | |
| 4606 | | Flipping the peptide bond for 1 residues |
| 4607 | | |
| 4608 | | > select clear |
| 4609 | | |
| 4610 | | > view #1/o:55 |
| 4611 | | |
| 4612 | | > isolde pepflip sel |
| 4613 | | |
| 4614 | | Flipping the peptide bond for 1 residues |
| 4615 | | |
| 4616 | | > isolde pepflip sel |
| 4617 | | |
| 4618 | | Flipping the peptide bond for 1 residues |
| 4619 | | |
| 4620 | | > select clear |
| 4621 | | |
| 4622 | | > isolde pepflip sel |
| 4623 | | |
| 4624 | | Flipping the peptide bond for 1 residues |
| 4625 | | |
| 4626 | | > isolde pepflip sel |
| 4627 | | |
| 4628 | | Flipping the peptide bond for 1 residues |
| 4629 | | |
| 4630 | | > select clear |
| 4631 | | |
| 4632 | | > isolde pepflip sel |
| 4633 | | |
| 4634 | | Flipping the peptide bond for 1 residues |
| 4635 | | |
| 4636 | | > isolde pepflip sel |
| 4637 | | |
| 4638 | | Flipping the peptide bond for 1 residues |
| 4639 | | |
| 4640 | | > isolde pepflip sel |
| 4641 | | |
| 4642 | | Flipping the peptide bond for 1 residues |
| 4643 | | |
| 4644 | | > isolde pepflip sel |
| 4645 | | |
| 4646 | | Flipping the peptide bond for 1 residues |
| 4647 | | |
| 4648 | | > isolde pepflip sel |
| 4649 | | |
| 4650 | | Flipping the peptide bond for 1 residues |
| 4651 | | |
| 4652 | | > isolde pepflip sel |
| 4653 | | |
| 4654 | | Flipping the peptide bond for 1 residues |
| 4655 | | |
| 4656 | | > isolde sim stop |
| 4657 | | |
| 4658 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4659 | | chains... |
| 4660 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 4661 | | standards. |
| 4662 | | ISOLDE: stopped sim |
| 4663 | | |
| 4664 | | > select #1/o:55|/o:37 |
| 4665 | | |
| 4666 | | 39 atoms, 37 bonds, 2 residues, 1 model selected |
| 4667 | | |
| 4668 | | > select #1/o:55|/o:37 |
| 4669 | | |
| 4670 | | 39 atoms, 37 bonds, 2 residues, 1 model selected |
| 4671 | | |
| 4672 | | > select #1/o:37 |
| 4673 | | |
| 4674 | | 17 atoms, 16 bonds, 1 residue, 1 model selected |
| 4675 | | |
| 4676 | | > select #1/u:37A/o:55 |
| 4677 | | |
| 4678 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 4679 | | |
| 4680 | | > select #1/u:37/o:55 |
| 4681 | | |
| 4682 | | 38 atoms, 36 bonds, 2 residues, 1 model selected |
| 4683 | | |
| 4684 | | > isolde sim start sel |
| 4685 | | |
| 4686 | | ISOLDE: started sim |
| 4687 | | |
| 4688 | | > select clear |
| 4689 | | |
| 4690 | | > isolde pepflip sel |
| 4691 | | |
| 4692 | | Flipping the peptide bond for 1 residues |
| 4693 | | |
| 4694 | | > select clear |
| 4695 | | |
| 4696 | | [Repeated 2 time(s)] |
| 4697 | | |
| 4698 | | > isolde pepflip sel |
| 4699 | | |
| 4700 | | Flipping the peptide bond for 1 residues |
| 4701 | | |
| 4702 | | > isolde pepflip sel |
| 4703 | | |
| 4704 | | Flipping the peptide bond for 1 residues |
| 4705 | | |
| 4706 | | > isolde pepflip sel |
| 4707 | | |
| 4708 | | Flipping the peptide bond for 1 residues |
| 4709 | | |
| 4710 | | > select clear |
| 4711 | | |
| 4712 | | [Repeated 3 time(s)] |
| 4713 | | |
| 4714 | | > isolde pepflip sel |
| 4715 | | |
| 4716 | | Flipping the peptide bond for 1 residues |
| 4717 | | |
| 4718 | | > select clear |
| 4719 | | |
| 4720 | | [Repeated 1 time(s)] |
| 4721 | | |
| 4722 | | > isolde pepflip sel |
| 4723 | | |
| 4724 | | Flipping the peptide bond for 1 residues |
| 4725 | | |
| 4726 | | > isolde pepflip sel |
| 4727 | | |
| 4728 | | Flipping the peptide bond for 1 residues |
| 4729 | | |
| 4730 | | > isolde pepflip sel |
| 4731 | | |
| 4732 | | Flipping the peptide bond for 1 residues |
| 4733 | | |
| 4734 | | > select clear |
| 4735 | | |
| 4736 | | [Repeated 1 time(s)] |
| 4737 | | |
| 4738 | | > isolde pepflip sel |
| 4739 | | |
| 4740 | | Flipping the peptide bond for 1 residues |
| 4741 | | |
| 4742 | | > isolde pepflip sel |
| 4743 | | |
| 4744 | | Flipping the peptide bond for 1 residues |
| 4745 | | |
| 4746 | | > isolde cisflip sel |
| 4747 | | |
| 4748 | | Performing cis<\-->trans flip for 1 residues |
| 4749 | | |
| 4750 | | > isolde cisflip sel |
| 4751 | | |
| 4752 | | Performing cis<\-->trans flip for 1 residues |
| 4753 | | |
| 4754 | | > isolde cisflip sel |
| 4755 | | |
| 4756 | | Performing cis<\-->trans flip for 1 residues |
| 4757 | | |
| 4758 | | > isolde pepflip sel |
| 4759 | | |
| 4760 | | Flipping the peptide bond for 1 residues |
| 4761 | | |
| 4762 | | > isolde pepflip sel |
| 4763 | | |
| 4764 | | Flipping the peptide bond for 1 residues |
| 4765 | | |
| 4766 | | > isolde pepflip sel |
| 4767 | | |
| 4768 | | Flipping the peptide bond for 1 residues |
| 4769 | | |
| 4770 | | > isolde pepflip sel |
| 4771 | | |
| 4772 | | Flipping the peptide bond for 1 residues |
| 4773 | | |
| 4774 | | > isolde pepflip sel |
| 4775 | | |
| 4776 | | Flipping the peptide bond for 1 residues |
| 4777 | | |
| 4778 | | > isolde pepflip sel |
| 4779 | | |
| 4780 | | Flipping the peptide bond for 1 residues |
| 4781 | | |
| 4782 | | > isolde pepflip sel |
| 4783 | | |
| 4784 | | Flipping the peptide bond for 1 residues |
| 4785 | | |
| 4786 | | > isolde pepflip sel |
| 4787 | | |
| 4788 | | Flipping the peptide bond for 1 residues |
| 4789 | | |
| 4790 | | > select clear |
| 4791 | | |
| 4792 | | > isolde pepflip sel |
| 4793 | | |
| 4794 | | Flipping the peptide bond for 1 residues |
| 4795 | | |
| 4796 | | > isolde pepflip sel |
| 4797 | | |
| 4798 | | Flipping the peptide bond for 1 residues |
| 4799 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 4800 | | |
| 4801 | | > isolde sim pause |
| 4802 | | |
| 4803 | | > select #1 |
| 4804 | | |
| 4805 | | 144426 atoms, 150208 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 4806 | | |
| 4807 | | > select clear |
| 4808 | | |
| 4809 | | [Repeated 2 time(s)] |
| 4810 | | |
| 4811 | | > isolde sim resume |
| 4812 | | |
| 4813 | | > select clear |
| 4814 | | |
| 4815 | | > isolde pepflip sel |
| 4816 | | |
| 4817 | | Flipping the peptide bond for 1 residues |
| 4818 | | |
| 4819 | | > select clear |
| 4820 | | |
| 4821 | | > isolde pepflip sel |
| 4822 | | |
| 4823 | | Flipping the peptide bond for 1 residues |
| 4824 | | |
| 4825 | | > select clear |
| 4826 | | |
| 4827 | | > isolde pepflip sel |
| 4828 | | |
| 4829 | | Flipping the peptide bond for 1 residues |
| 4830 | | |
| 4831 | | > isolde pepflip sel |
| 4832 | | |
| 4833 | | Flipping the peptide bond for 1 residues |
| 4834 | | |
| 4835 | | > isolde pepflip sel |
| 4836 | | |
| 4837 | | Flipping the peptide bond for 1 residues |
| 4838 | | |
| 4839 | | > isolde pepflip sel |
| 4840 | | |
| 4841 | | Flipping the peptide bond for 1 residues |
| 4842 | | |
| 4843 | | > isolde pepflip sel |
| 4844 | | |
| 4845 | | Flipping the peptide bond for 1 residues |
| 4846 | | |
| 4847 | | > isolde pepflip sel |
| 4848 | | |
| 4849 | | Flipping the peptide bond for 1 residues |
| 4850 | | |
| 4851 | | > isolde sim pause |
| 4852 | | |
| 4853 | | > isolde sim resume |
| 4854 | | |
| 4855 | | > isolde pepflip sel |
| 4856 | | |
| 4857 | | Flipping the peptide bond for 1 residues |
| 4858 | | |
| 4859 | | > select clear |
| 4860 | | |
| 4861 | | [Repeated 1 time(s)] |
| 4862 | | |
| 4863 | | > isolde pepflip sel |
| 4864 | | |
| 4865 | | Flipping the peptide bond for 1 residues |
| 4866 | | |
| 4867 | | > isolde pepflip sel |
| 4868 | | |
| 4869 | | Flipping the peptide bond for 1 residues |
| 4870 | | |
| 4871 | | > isolde sim pause |
| 4872 | | |
| 4873 | | > select #1 |
| 4874 | | |
| 4875 | | 144426 atoms, 150208 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 4876 | | |
| 4877 | | > isolde sim resume |
| 4878 | | |
| 4879 | | > select clear |
| 4880 | | |
| 4881 | | > isolde pepflip sel |
| 4882 | | |
| 4883 | | Flipping the peptide bond for 1 residues |
| 4884 | | |
| 4885 | | > isolde pepflip sel |
| 4886 | | |
| 4887 | | Flipping the peptide bond for 1 residues |
| 4888 | | |
| 4889 | | > select clear |
| 4890 | | |
| 4891 | | [Repeated 3 time(s)] |
| 4892 | | |
| 4893 | | > isolde pepflip sel |
| 4894 | | |
| 4895 | | Flipping the peptide bond for 1 residues |
| 4896 | | |
| 4897 | | > isolde pepflip sel |
| 4898 | | |
| 4899 | | Flipping the peptide bond for 1 residues |
| 4900 | | |
| 4901 | | > select clear |
| 4902 | | |
| 4903 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 4904 | | |
| 4905 | | > isolde pepflip sel |
| 4906 | | |
| 4907 | | Flipping the peptide bond for 1 residues |
| 4908 | | |
| 4909 | | > select clear |
| 4910 | | |
| 4911 | | > isolde pepflip sel |
| 4912 | | |
| 4913 | | Flipping the peptide bond for 1 residues |
| 4914 | | |
| 4915 | | > isolde pepflip sel |
| 4916 | | |
| 4917 | | Flipping the peptide bond for 1 residues |
| 4918 | | |
| 4919 | | > isolde pepflip sel |
| 4920 | | |
| 4921 | | Flipping the peptide bond for 1 residues |
| 4922 | | |
| 4923 | | > select clear |
| 4924 | | |
| 4925 | | [Repeated 1 time(s)] |
| 4926 | | |
| 4927 | | > ui tool show "Ramachandran Plot" |
| 4928 | | |
| 4929 | | > isolde pepflip sel |
| 4930 | | |
| 4931 | | Flipping the peptide bond for 1 residues |
| 4932 | | |
| 4933 | | > isolde pepflip sel |
| 4934 | | |
| 4935 | | Flipping the peptide bond for 1 residues |
| 4936 | | |
| 4937 | | > select clear |
| 4938 | | |
| 4939 | | > isolde pepflip sel |
| 4940 | | |
| 4941 | | Flipping the peptide bond for 1 residues |
| 4942 | | |
| 4943 | | > select clear |
| 4944 | | |
| 4945 | | > isolde pepflip sel |
| 4946 | | |
| 4947 | | Flipping the peptide bond for 1 residues |
| 4948 | | |
| 4949 | | > isolde pepflip sel |
| 4950 | | |
| 4951 | | Flipping the peptide bond for 1 residues |
| 4952 | | |
| 4953 | | > select clear |
| 4954 | | |
| 4955 | | > isolde pepflip sel |
| 4956 | | |
| 4957 | | Flipping the peptide bond for 1 residues |
| 4958 | | |
| 4959 | | > select clear |
| 4960 | | |
| 4961 | | > ui tool show "Ramachandran Plot" |
| 4962 | | |
| 4963 | | > isolde pepflip sel |
| 4964 | | |
| 4965 | | Flipping the peptide bond for 1 residues |
| 4966 | | |
| 4967 | | > select clear |
| 4968 | | |
| 4969 | | > isolde pepflip sel |
| 4970 | | |
| 4971 | | Flipping the peptide bond for 1 residues |
| 4972 | | |
| 4973 | | > isolde pepflip sel |
| 4974 | | |
| 4975 | | Flipping the peptide bond for 1 residues |
| 4976 | | |
| 4977 | | > select clear |
| 4978 | | |
| 4979 | | [Repeated 4 time(s)] |
| 4980 | | |
| 4981 | | > ui tool show "Ramachandran Plot" |
| 4982 | | |
| 4983 | | > isolde pepflip sel |
| 4984 | | |
| 4985 | | Flipping the peptide bond for 1 residues |
| 4986 | | |
| 4987 | | > select clear |
| 4988 | | |
| 4989 | | > isolde pepflip sel |
| 4990 | | |
| 4991 | | Flipping the peptide bond for 1 residues |
| 4992 | | |
| 4993 | | > ui tool show "Ramachandran Plot" |
| 4994 | | |
| 4995 | | > isolde pepflip sel |
| 4996 | | |
| 4997 | | Flipping the peptide bond for 1 residues |
| 4998 | | |
| 4999 | | > isolde pepflip sel |
| 5000 | | |
| 5001 | | Flipping the peptide bond for 1 residues |
| 5002 | | |
| 5003 | | > isolde pepflip sel |
| 5004 | | |
| 5005 | | Flipping the peptide bond for 1 residues |
| 5006 | | |
| 5007 | | > ui tool show "Ramachandran Plot" |
| 5008 | | |
| 5009 | | > isolde pepflip sel |
| 5010 | | |
| 5011 | | Flipping the peptide bond for 1 residues |
| 5012 | | |
| 5013 | | > isolde pepflip sel |
| 5014 | | |
| 5015 | | Flipping the peptide bond for 1 residues |
| 5016 | | |
| 5017 | | > select clear |
| 5018 | | |
| 5019 | | [Repeated 1 time(s)]Unable to flip peptide bond after 50 rounds. Giving up. |
| 5020 | | |
| 5021 | | > ui tool show "Ramachandran Plot" |
| 5022 | | |
| 5023 | | Traceback (most recent call last): |
| 5024 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5025 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 5026 | | func(*args, **kwargs) |
| 5027 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 5028 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 5029 | | on_resize |
| 5030 | | c.draw() |
| 5031 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5032 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 5033 | | self.figure.draw(self.renderer) |
| 5034 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5035 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 5036 | | result = draw(artist, renderer, *args, **kwargs) |
| 5037 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5038 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 5039 | | return draw(artist, renderer) |
| 5040 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5041 | | packages/matplotlib/figure.py", line 2796, in draw |
| 5042 | | artists = self._get_draw_artists(renderer) |
| 5043 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5044 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 5045 | | ax.apply_aspect() |
| 5046 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5047 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 5048 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 5049 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5050 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 5051 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 5052 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 5053 | | |
| 5054 | | > isolde pepflip sel |
| 5055 | | |
| 5056 | | Flipping the peptide bond for 1 residues |
| 5057 | | |
| 5058 | | > isolde pepflip sel |
| 5059 | | |
| 5060 | | Flipping the peptide bond for 1 residues |
| 5061 | | |
| 5062 | | > isolde pepflip sel |
| 5063 | | |
| 5064 | | Flipping the peptide bond for 1 residues |
| 5065 | | |
| 5066 | | > select clear |
| 5067 | | |
| 5068 | | > ui tool show "Ramachandran Plot" |
| 5069 | | |
| 5070 | | > isolde pepflip sel |
| 5071 | | |
| 5072 | | Flipping the peptide bond for 1 residues |
| 5073 | | |
| 5074 | | > select clear |
| 5075 | | |
| 5076 | | [Repeated 1 time(s)] |
| 5077 | | |
| 5078 | | > ui tool show "Ramachandran Plot" |
| 5079 | | |
| 5080 | | > view #1/u:37 |
| 5081 | | |
| 5082 | | > ui tool show "Ramachandran Plot" |
| 5083 | | |
| 5084 | | > isolde pepflip sel |
| 5085 | | |
| 5086 | | Flipping the peptide bond for 1 residues |
| 5087 | | |
| 5088 | | > select clear |
| 5089 | | |
| 5090 | | > ui tool show "Ramachandran Plot" |
| 5091 | | |
| 5092 | | > isolde pepflip sel |
| 5093 | | |
| 5094 | | Flipping the peptide bond for 1 residues |
| 5095 | | |
| 5096 | | > isolde pepflip sel |
| 5097 | | |
| 5098 | | Flipping the peptide bond for 1 residues |
| 5099 | | |
| 5100 | | > ui tool show "Ramachandran Plot" |
| 5101 | | |
| 5102 | | > select clear |
| 5103 | | |
| 5104 | | > ui tool show "Ramachandran Plot" |
| 5105 | | |
| 5106 | | [Repeated 1 time(s)] |
| 5107 | | |
| 5108 | | > isolde pepflip sel |
| 5109 | | |
| 5110 | | Flipping the peptide bond for 1 residues |
| 5111 | | |
| 5112 | | > select clear |
| 5113 | | |
| 5114 | | > ui tool show "Ramachandran Plot" |
| 5115 | | |
| 5116 | | > ui tool show ISOLDE |
| 5117 | | |
| 5118 | | > ui tool show "Ramachandran Plot" |
| 5119 | | |
| 5120 | | > isolde pepflip sel |
| 5121 | | |
| 5122 | | Flipping the peptide bond for 1 residues |
| 5123 | | |
| 5124 | | > isolde pepflip sel |
| 5125 | | |
| 5126 | | Flipping the peptide bond for 1 residues |
| 5127 | | |
| 5128 | | > select clear |
| 5129 | | |
| 5130 | | > ui tool show "Ramachandran Plot" |
| 5131 | | |
| 5132 | | [Repeated 2 time(s)] |
| 5133 | | |
| 5134 | | > isolde pepflip sel |
| 5135 | | |
| 5136 | | Flipping the peptide bond for 1 residues |
| 5137 | | |
| 5138 | | > ui tool show "Ramachandran Plot" |
| 5139 | | |
| 5140 | | > select clear |
| 5141 | | |
| 5142 | | > ui tool show "Ramachandran Plot" |
| 5143 | | |
| 5144 | | > isolde pepflip sel |
| 5145 | | |
| 5146 | | Flipping the peptide bond for 1 residues |
| 5147 | | |
| 5148 | | > select clear |
| 5149 | | |
| 5150 | | > isolde pepflip sel |
| 5151 | | |
| 5152 | | Flipping the peptide bond for 1 residues |
| 5153 | | |
| 5154 | | > isolde pepflip sel |
| 5155 | | |
| 5156 | | Flipping the peptide bond for 1 residues |
| 5157 | | |
| 5158 | | > ui tool show "Ramachandran Plot" |
| 5159 | | |
| 5160 | | > isolde pepflip sel |
| 5161 | | |
| 5162 | | Flipping the peptide bond for 1 residues |
| 5163 | | |
| 5164 | | > isolde pepflip sel |
| 5165 | | |
| 5166 | | Flipping the peptide bond for 1 residues |
| 5167 | | |
| 5168 | | > select clear |
| 5169 | | |
| 5170 | | [Repeated 1 time(s)] |
| 5171 | | |
| 5172 | | > isolde pepflip sel |
| 5173 | | |
| 5174 | | Flipping the peptide bond for 1 residues |
| 5175 | | |
| 5176 | | > isolde pepflip sel |
| 5177 | | |
| 5178 | | Flipping the peptide bond for 1 residues |
| 5179 | | |
| 5180 | | > select clear |
| 5181 | | |
| 5182 | | > isolde pepflip sel |
| 5183 | | |
| 5184 | | Flipping the peptide bond for 1 residues |
| 5185 | | |
| 5186 | | > isolde pepflip sel |
| 5187 | | |
| 5188 | | Flipping the peptide bond for 1 residues |
| 5189 | | |
| 5190 | | > ui tool show "Ramachandran Plot" |
| 5191 | | |
| 5192 | | > isolde pepflip sel |
| 5193 | | |
| 5194 | | Flipping the peptide bond for 1 residues |
| 5195 | | |
| 5196 | | > select clear |
| 5197 | | |
| 5198 | | [Repeated 1 time(s)] |
| 5199 | | |
| 5200 | | > ui tool show "Ramachandran Plot" |
| 5201 | | |
| 5202 | | [Repeated 1 time(s)] |
| 5203 | | |
| 5204 | | > select clear |
| 5205 | | |
| 5206 | | [Repeated 3 time(s)] |
| 5207 | | |
| 5208 | | > ui tool show "Ramachandran Plot" |
| 5209 | | |
| 5210 | | [Repeated 2 time(s)] |
| 5211 | | |
| 5212 | | > isolde pepflip sel |
| 5213 | | |
| 5214 | | Flipping the peptide bond for 1 residues |
| 5215 | | |
| 5216 | | > isolde pepflip sel |
| 5217 | | |
| 5218 | | Flipping the peptide bond for 1 residues |
| 5219 | | |
| 5220 | | > isolde pepflip sel |
| 5221 | | |
| 5222 | | Flipping the peptide bond for 1 residues |
| 5223 | | |
| 5224 | | > isolde pepflip sel |
| 5225 | | |
| 5226 | | Flipping the peptide bond for 1 residues |
| 5227 | | |
| 5228 | | > select clear |
| 5229 | | |
| 5230 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 5231 | | |
| 5232 | | > ui tool show "Ramachandran Plot" |
| 5233 | | |
| 5234 | | > select clear |
| 5235 | | |
| 5236 | | > ui tool show "Ramachandran Plot" |
| 5237 | | |
| 5238 | | > isolde pepflip sel |
| 5239 | | |
| 5240 | | Flipping the peptide bond for 1 residues |
| 5241 | | |
| 5242 | | > isolde pepflip sel |
| 5243 | | |
| 5244 | | Flipping the peptide bond for 1 residues |
| 5245 | | |
| 5246 | | > select clear |
| 5247 | | |
| 5248 | | [Repeated 1 time(s)] |
| 5249 | | |
| 5250 | | > ui tool show "Ramachandran Plot" |
| 5251 | | |
| 5252 | | > hide #!1.2 models |
| 5253 | | |
| 5254 | | > show #!1.2 models |
| 5255 | | |
| 5256 | | > ui tool show "Ramachandran Plot" |
| 5257 | | |
| 5258 | | > select clear |
| 5259 | | |
| 5260 | | [Repeated 3 time(s)] |
| 5261 | | |
| 5262 | | > ui tool show "Ramachandran Plot" |
| 5263 | | |
| 5264 | | > isolde pepflip sel |
| 5265 | | |
| 5266 | | Flipping the peptide bond for 1 residues |
| 5267 | | |
| 5268 | | > isolde pepflip sel |
| 5269 | | |
| 5270 | | Flipping the peptide bond for 1 residues |
| 5271 | | |
| 5272 | | > isolde pepflip sel |
| 5273 | | |
| 5274 | | Flipping the peptide bond for 1 residues |
| 5275 | | |
| 5276 | | > isolde pepflip sel |
| 5277 | | |
| 5278 | | Flipping the peptide bond for 1 residues |
| 5279 | | |
| 5280 | | > isolde pepflip sel |
| 5281 | | |
| 5282 | | Flipping the peptide bond for 1 residues |
| 5283 | | |
| 5284 | | > isolde pepflip sel |
| 5285 | | |
| 5286 | | Flipping the peptide bond for 1 residues |
| 5287 | | |
| 5288 | | > isolde pepflip sel |
| 5289 | | |
| 5290 | | Flipping the peptide bond for 1 residues |
| 5291 | | |
| 5292 | | > isolde pepflip sel |
| 5293 | | |
| 5294 | | Flipping the peptide bond for 1 residues |
| 5295 | | |
| 5296 | | > select clear |
| 5297 | | |
| 5298 | | > isolde pepflip sel |
| 5299 | | |
| 5300 | | Flipping the peptide bond for 1 residues |
| 5301 | | |
| 5302 | | > isolde pepflip sel |
| 5303 | | |
| 5304 | | Flipping the peptide bond for 1 residues |
| 5305 | | |
| 5306 | | > isolde pepflip sel |
| 5307 | | |
| 5308 | | Flipping the peptide bond for 1 residues |
| 5309 | | |
| 5310 | | > ui tool show "Ramachandran Plot" |
| 5311 | | |
| 5312 | | > select clear |
| 5313 | | |
| 5314 | | > isolde pepflip sel |
| 5315 | | |
| 5316 | | Flipping the peptide bond for 1 residues |
| 5317 | | |
| 5318 | | > isolde pepflip sel |
| 5319 | | |
| 5320 | | Flipping the peptide bond for 1 residues |
| 5321 | | |
| 5322 | | > select clear |
| 5323 | | |
| 5324 | | [Repeated 1 time(s)] |
| 5325 | | |
| 5326 | | > isolde pepflip sel |
| 5327 | | |
| 5328 | | Flipping the peptide bond for 1 residues |
| 5329 | | |
| 5330 | | > isolde pepflip sel |
| 5331 | | |
| 5332 | | Flipping the peptide bond for 1 residues |
| 5333 | | |
| 5334 | | > select clear |
| 5335 | | |
| 5336 | | > isolde pepflip sel |
| 5337 | | |
| 5338 | | Flipping the peptide bond for 1 residues |
| 5339 | | |
| 5340 | | > isolde pepflip sel |
| 5341 | | |
| 5342 | | Flipping the peptide bond for 1 residues |
| 5343 | | |
| 5344 | | > isolde pepflip sel |
| 5345 | | |
| 5346 | | Flipping the peptide bond for 1 residues |
| 5347 | | |
| 5348 | | > isolde pepflip sel |
| 5349 | | |
| 5350 | | Flipping the peptide bond for 1 residues |
| 5351 | | |
| 5352 | | > select clear |
| 5353 | | |
| 5354 | | > isolde pepflip sel |
| 5355 | | |
| 5356 | | Flipping the peptide bond for 1 residues |
| 5357 | | |
| 5358 | | > select clear |
| 5359 | | |
| 5360 | | > ui tool show "Ramachandran Plot" |
| 5361 | | |
| 5362 | | > isolde pepflip sel |
| 5363 | | |
| 5364 | | Flipping the peptide bond for 1 residues |
| 5365 | | |
| 5366 | | > select clear |
| 5367 | | |
| 5368 | | [Repeated 1 time(s)] |
| 5369 | | |
| 5370 | | > isolde pepflip sel |
| 5371 | | |
| 5372 | | Flipping the peptide bond for 1 residues |
| 5373 | | |
| 5374 | | > isolde pepflip sel |
| 5375 | | |
| 5376 | | Flipping the peptide bond for 1 residues |
| 5377 | | |
| 5378 | | > isolde pepflip sel |
| 5379 | | |
| 5380 | | Flipping the peptide bond for 1 residues |
| 5381 | | |
| 5382 | | > isolde pepflip sel |
| 5383 | | |
| 5384 | | Flipping the peptide bond for 1 residues |
| 5385 | | |
| 5386 | | > isolde pepflip sel |
| 5387 | | |
| 5388 | | Flipping the peptide bond for 1 residues |
| 5389 | | |
| 5390 | | > select clear |
| 5391 | | |
| 5392 | | > ui tool show "Ramachandran Plot" |
| 5393 | | |
| 5394 | | > isolde pepflip sel |
| 5395 | | |
| 5396 | | Flipping the peptide bond for 1 residues |
| 5397 | | |
| 5398 | | > select clear |
| 5399 | | |
| 5400 | | > ui tool show "Ramachandran Plot" |
| 5401 | | |
| 5402 | | > isolde pepflip sel |
| 5403 | | |
| 5404 | | Flipping the peptide bond for 1 residues |
| 5405 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 5406 | | |
| 5407 | | > select clear |
| 5408 | | |
| 5409 | | > isolde pepflip sel |
| 5410 | | |
| 5411 | | Flipping the peptide bond for 1 residues |
| 5412 | | |
| 5413 | | > isolde pepflip sel |
| 5414 | | |
| 5415 | | Flipping the peptide bond for 1 residues |
| 5416 | | |
| 5417 | | > ui tool show "Ramachandran Plot" |
| 5418 | | |
| 5419 | | > isolde sim pause |
| 5420 | | |
| 5421 | | > ui tool show "Ramachandran Plot" |
| 5422 | | |
| 5423 | | > isolde sim resume |
| 5424 | | |
| 5425 | | > ui tool show "Ramachandran Plot" |
| 5426 | | |
| 5427 | | > isolde sim pause |
| 5428 | | |
| 5429 | | > isolde sim stop |
| 5430 | | |
| 5431 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5432 | | chains... |
| 5433 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 5434 | | standards. |
| 5435 | | ISOLDE: stopped sim |
| 5436 | | |
| 5437 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 5438 | | > mut8-no-C-ter/12-KSRP-no-C-ter-Step1-twelventhSubsteps- |
| 5439 | | > simulatedAnnealingIn-u37-o55-region.csx.cxs |
| 5440 | | |
| 5441 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 5442 | | |
| 5443 | | ——— End of log from Fri Mar 17 17:24:40 2023 ——— |
| 5444 | | |
| 5445 | | opened ChimeraX session |
| 5446 | | |
| 5447 | | > isolde start |
| 5448 | | |
| 5449 | | > set selectionWidth 4 |
| 5450 | | |
| 5451 | | > select clear |
| 5452 | | |
| 5453 | | > view #1/o:55 |
| 5454 | | |
| 5455 | | > select #1/o:55 |
| 5456 | | |
| 5457 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5458 | | |
| 5459 | | > isolde sim start sel |
| 5460 | | |
| 5461 | | Launching using CUDA failed with the below message. Falling back to using |
| 5462 | | OpenCL. |
| 5463 | | |
| 5464 | | Error compiling program: nvrtc: error: invalid value for --gpu-architecture |
| 5465 | | (-arch) |
| 5466 | | |
| 5467 | | |
| 5468 | | ISOLDE: started sim |
| 5469 | | |
| 5470 | | > isolde sim stop discardTo start |
| 5471 | | |
| 5472 | | reverting to start |
| 5473 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5474 | | chains... |
| 5475 | | ISOLDE: stopped sim |
| 5476 | | |
| 5477 | | > select #1/o:55 |
| 5478 | | |
| 5479 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5480 | | |
| 5481 | | > isolde sim start sel |
| 5482 | | |
| 5483 | | ISOLDE: started sim |
| 5484 | | |
| 5485 | | > ui tool show "Ramachandran Plot" |
| 5486 | | |
| 5487 | | > select clear |
| 5488 | | |
| 5489 | | > isolde sim stop |
| 5490 | | |
| 5491 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5492 | | chains... |
| 5493 | | ISOLDE: stopped sim |
| 5494 | | |
| 5495 | | > view #1/u:49 |
| 5496 | | |
| 5497 | | > select #1/u:49 |
| 5498 | | |
| 5499 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5500 | | |
| 5501 | | > isolde sim start sel |
| 5502 | | |
| 5503 | | ISOLDE: started sim |
| 5504 | | |
| 5505 | | > isolde sim stop discardTo start |
| 5506 | | |
| 5507 | | reverting to start |
| 5508 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5509 | | chains... |
| 5510 | | ISOLDE: stopped sim |
| 5511 | | |
| 5512 | | > select #1/u:49 |
| 5513 | | |
| 5514 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5515 | | |
| 5516 | | > isolde sim start sel |
| 5517 | | |
| 5518 | | ISOLDE: started sim |
| 5519 | | |
| 5520 | | > ui tool show "Ramachandran Plot" |
| 5521 | | |
| 5522 | | > select clear |
| 5523 | | |
| 5524 | | > isolde pepflip sel |
| 5525 | | |
| 5526 | | Flipping the peptide bond for 1 residues |
| 5527 | | |
| 5528 | | > select clear |
| 5529 | | |
| 5530 | | > ui tool show "Ramachandran Plot" |
| 5531 | | |
| 5532 | | > isolde sim pause |
| 5533 | | |
| 5534 | | > isolde sim resume |
| 5535 | | |
| 5536 | | > isolde sim pause |
| 5537 | | |
| 5538 | | 3 models selected |
| 5539 | | [Repeated 1 time(s)] |
| 5540 | | |
| 5541 | | > view #1 |
| 5542 | | |
| 5543 | | > view #1/u:49 |
| 5544 | | |
| 5545 | | > view #1/P |
| 5546 | | |
| 5547 | | > ui tool show "Ramachandran Plot" |
| 5548 | | |
| 5549 | | > view #1/u:49 |
| 5550 | | |
| 5551 | | > isolde sim resume |
| 5552 | | |
| 5553 | | > ui tool show "Ramachandran Plot" |
| 5554 | | |
| 5555 | | [Repeated 2 time(s)] |
| 5556 | | |
| 5557 | | > isolde sim stop |
| 5558 | | |
| 5559 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5560 | | chains... |
| 5561 | | ISOLDE: stopped sim |
| 5562 | | |
| 5563 | | > view #1/u:63 |
| 5564 | | |
| 5565 | | > select #1/u:63 |
| 5566 | | |
| 5567 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 5568 | | |
| 5569 | | > isolde sim start sel |
| 5570 | | |
| 5571 | | ISOLDE: started sim |
| 5572 | | |
| 5573 | | > ui tool show "Ramachandran Plot" |
| 5574 | | |
| 5575 | | > isolde pepflip sel |
| 5576 | | |
| 5577 | | Flipping the peptide bond for 1 residues |
| 5578 | | |
| 5579 | | > isolde pepflip sel |
| 5580 | | |
| 5581 | | Flipping the peptide bond for 1 residues |
| 5582 | | |
| 5583 | | > isolde pepflip sel |
| 5584 | | |
| 5585 | | Flipping the peptide bond for 1 residues |
| 5586 | | |
| 5587 | | > ui tool show "Ramachandran Plot" |
| 5588 | | |
| 5589 | | [Repeated 1 time(s)] |
| 5590 | | |
| 5591 | | > select clear |
| 5592 | | |
| 5593 | | [Repeated 1 time(s)] |
| 5594 | | |
| 5595 | | > isolde pepflip sel |
| 5596 | | |
| 5597 | | Flipping the peptide bond for 1 residues |
| 5598 | | |
| 5599 | | > isolde pepflip sel |
| 5600 | | |
| 5601 | | Flipping the peptide bond for 1 residues |
| 5602 | | |
| 5603 | | > isolde pepflip sel |
| 5604 | | |
| 5605 | | Flipping the peptide bond for 1 residues |
| 5606 | | |
| 5607 | | > ui tool show "Ramachandran Plot" |
| 5608 | | |
| 5609 | | > select clear |
| 5610 | | |
| 5611 | | > ui tool show "Ramachandran Plot" |
| 5612 | | |
| 5613 | | > select clear |
| 5614 | | |
| 5615 | | > isolde sim stop |
| 5616 | | |
| 5617 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5618 | | chains... |
| 5619 | | ISOLDE: stopped sim |
| 5620 | | |
| 5621 | | > view #1/u:49 |
| 5622 | | |
| 5623 | | > select #1/u:49 |
| 5624 | | |
| 5625 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5626 | | |
| 5627 | | > isolde sim start sel |
| 5628 | | |
| 5629 | | ISOLDE: started sim |
| 5630 | | |
| 5631 | | > ui tool show "Ramachandran Plot" |
| 5632 | | |
| 5633 | | > isolde sim stop |
| 5634 | | |
| 5635 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5636 | | chains... |
| 5637 | | ISOLDE: stopped sim |
| 5638 | | |
| 5639 | | > view #1/u:43 |
| 5640 | | |
| 5641 | | > select #1/u:43 |
| 5642 | | |
| 5643 | | 21 atoms, 21 bonds, 1 residue, 1 model selected |
| 5644 | | |
| 5645 | | > isolde sim start sel |
| 5646 | | |
| 5647 | | ISOLDE: started sim |
| 5648 | | |
| 5649 | | > ui tool show "Ramachandran Plot" |
| 5650 | | |
| 5651 | | > select clear |
| 5652 | | |
| 5653 | | > isolde pepflip sel |
| 5654 | | |
| 5655 | | Flipping the peptide bond for 1 residues |
| 5656 | | |
| 5657 | | > select clear |
| 5658 | | |
| 5659 | | > ui tool show "Ramachandran Plot" |
| 5660 | | |
| 5661 | | > view #1/u:43 |
| 5662 | | |
| 5663 | | > ui tool show "Ramachandran Plot" |
| 5664 | | |
| 5665 | | > select clear |
| 5666 | | |
| 5667 | | > ui tool show "Ramachandran Plot" |
| 5668 | | |
| 5669 | | > select clear |
| 5670 | | |
| 5671 | | [Repeated 1 time(s)] |
| 5672 | | |
| 5673 | | > isolde pepflip sel |
| 5674 | | |
| 5675 | | Flipping the peptide bond for 1 residues |
| 5676 | | |
| 5677 | | > select clear |
| 5678 | | |
| 5679 | | > isolde pepflip sel |
| 5680 | | |
| 5681 | | Flipping the peptide bond for 1 residues |
| 5682 | | |
| 5683 | | > select clear |
| 5684 | | |
| 5685 | | [Repeated 1 time(s)] |
| 5686 | | |
| 5687 | | > isolde pepflip sel |
| 5688 | | |
| 5689 | | Flipping the peptide bond for 1 residues |
| 5690 | | |
| 5691 | | > select clear |
| 5692 | | |
| 5693 | | [Repeated 1 time(s)] |
| 5694 | | |
| 5695 | | > hide #!1.1 models |
| 5696 | | |
| 5697 | | > show #!1.1 models |
| 5698 | | |
| 5699 | | > hide #!1.2 models |
| 5700 | | |
| 5701 | | > show #!1.2 models |
| 5702 | | |
| 5703 | | > hide #!1.2 models |
| 5704 | | |
| 5705 | | > show #!1.2 models |
| 5706 | | |
| 5707 | | > hide #!1.2 models |
| 5708 | | |
| 5709 | | > show #!1.2 models |
| 5710 | | |
| 5711 | | > hide #!1.2 models |
| 5712 | | |
| 5713 | | > show #!1.2 models |
| 5714 | | |
| 5715 | | > ui tool show "Ramachandran Plot" |
| 5716 | | |
| 5717 | | > select clear |
| 5718 | | |
| 5719 | | > view #1/u:43 |
| 5720 | | |
| 5721 | | > isolde sim stop |
| 5722 | | |
| 5723 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5724 | | chains... |
| 5725 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 5726 | | standards. |
| 5727 | | ISOLDE: stopped sim |
| 5728 | | |
| 5729 | | > isolde sim start sel |
| 5730 | | |
| 5731 | | ISOLDE: started sim |
| 5732 | | |
| 5733 | | > select clear |
| 5734 | | |
| 5735 | | [Repeated 1 time(s)] |
| 5736 | | |
| 5737 | | > isolde sim stop |
| 5738 | | |
| 5739 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5740 | | chains... |
| 5741 | | ISOLDE: stopped sim |
| 5742 | | |
| 5743 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 5744 | | > mut8-no-C-ter/13-KSRP-no-C-ter-Step1-thirtenthSubsteps.pdb |
| 5745 | | |
| 5746 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 5747 | | > mut8-no-C-ter/13-KSRP-no-C-ter-Step1-thirtenthSubsteps.cxs |
| 5748 | | |
| 5749 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 5750 | | |
| 5751 | | > view #1/u:42|u:55 |
| 5752 | | |
| 5753 | | Expected an objects specifier or a view name or a keyword |
| 5754 | | |
| 5755 | | > view #1/u:42|/u:55 |
| 5756 | | |
| 5757 | | > select #1/u:42|/u:55 |
| 5758 | | |
| 5759 | | 34 atoms, 32 bonds, 2 residues, 1 model selected |
| 5760 | | |
| 5761 | | > isolde sim start sel |
| 5762 | | |
| 5763 | | ISOLDE: started sim |
| 5764 | | |
| 5765 | | > isolde sim stop discardTo start |
| 5766 | | |
| 5767 | | reverting to start |
| 5768 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5769 | | chains... |
| 5770 | | ISOLDE: stopped sim |
| 5771 | | |
| 5772 | | > select #1/u:42|/u:55 |
| 5773 | | |
| 5774 | | 34 atoms, 32 bonds, 2 residues, 1 model selected |
| 5775 | | |
| 5776 | | > isolde sim start sel |
| 5777 | | |
| 5778 | | ISOLDE: started sim |
| 5779 | | |
| 5780 | | > ui tool show "Ramachandran Plot" |
| 5781 | | |
| 5782 | | > select clear |
| 5783 | | |
| 5784 | | [Repeated 2 time(s)] |
| 5785 | | |
| 5786 | | > isolde pepflip sel |
| 5787 | | |
| 5788 | | Flipping the peptide bond for 1 residues |
| 5789 | | |
| 5790 | | > isolde pepflip sel |
| 5791 | | |
| 5792 | | Flipping the peptide bond for 1 residues |
| 5793 | | |
| 5794 | | > select clear |
| 5795 | | |
| 5796 | | > ui tool show "Ramachandran Plot" |
| 5797 | | |
| 5798 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 5799 | | |
| 5800 | | > ui tool show "Ramachandran Plot" |
| 5801 | | |
| 5802 | | > isolde sim stop |
| 5803 | | |
| 5804 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5805 | | chains... |
| 5806 | | ISOLDE: stopped sim |
| 5807 | | |
| 5808 | | > view #1/u:43 |
| 5809 | | |
| 5810 | | > select #1/u:43 |
| 5811 | | |
| 5812 | | 21 atoms, 21 bonds, 1 residue, 1 model selected |
| 5813 | | |
| 5814 | | > isolde sim start sel |
| 5815 | | |
| 5816 | | ISOLDE: started sim |
| 5817 | | |
| 5818 | | > ui tool show "Ramachandran Plot" |
| 5819 | | |
| 5820 | | > select clear |
| 5821 | | |
| 5822 | | > isolde sim stop |
| 5823 | | |
| 5824 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5825 | | chains... |
| 5826 | | ISOLDE: stopped sim |
| 5827 | | |
| 5828 | | > view #1/u:63 |
| 5829 | | |
| 5830 | | > select #1/u:63 |
| 5831 | | |
| 5832 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 5833 | | |
| 5834 | | > select #1/u:63 |
| 5835 | | |
| 5836 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 5837 | | |
| 5838 | | > isolde sim start sel |
| 5839 | | |
| 5840 | | ISOLDE: started sim |
| 5841 | | |
| 5842 | | > ui tool show "Ramachandran Plot" |
| 5843 | | |
| 5844 | | > isolde sim stop |
| 5845 | | |
| 5846 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5847 | | chains... |
| 5848 | | ISOLDE: stopped sim |
| 5849 | | |
| 5850 | | > ui tool show "Ramachandran Plot" |
| 5851 | | |
| 5852 | | > select #1/u:49 |
| 5853 | | |
| 5854 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5855 | | |
| 5856 | | > view #1/u:49 |
| 5857 | | |
| 5858 | | > select #1/u:49 |
| 5859 | | |
| 5860 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5861 | | |
| 5862 | | > isolde sim start sel |
| 5863 | | |
| 5864 | | ISOLDE: started sim |
| 5865 | | |
| 5866 | | > ui tool show "Ramachandran Plot" |
| 5867 | | |
| 5868 | | [Repeated 1 time(s)] |
| 5869 | | |
| 5870 | | > isolde sim stop |
| 5871 | | |
| 5872 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5873 | | chains... |
| 5874 | | ISOLDE: stopped sim |
| 5875 | | |
| 5876 | | > view #1/o:55 |
| 5877 | | |
| 5878 | | > select #1/o:55 |
| 5879 | | |
| 5880 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5881 | | |
| 5882 | | > isolde sim start sel |
| 5883 | | |
| 5884 | | ISOLDE: started sim |
| 5885 | | |
| 5886 | | > ui tool show "Ramachandran Plot" |
| 5887 | | |
| 5888 | | > isolde sim stop |
| 5889 | | |
| 5890 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5891 | | chains... |
| 5892 | | ISOLDE: stopped sim |
| 5893 | | |
| 5894 | | > view #1/u:12 |
| 5895 | | |
| 5896 | | > select #1/u:12 |
| 5897 | | |
| 5898 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 5899 | | |
| 5900 | | > isolde sim start sel |
| 5901 | | |
| 5902 | | ISOLDE: started sim |
| 5903 | | |
| 5904 | | > ui tool show "Ramachandran Plot" |
| 5905 | | |
| 5906 | | > select clear |
| 5907 | | |
| 5908 | | > isolde sim stop |
| 5909 | | |
| 5910 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5911 | | chains... |
| 5912 | | ISOLDE: stopped sim |
| 5913 | | |
| 5914 | | > view #1/u:28-42|/o:53-56|/u:43-47 |
| 5915 | | |
| 5916 | | > select #1/u:28-42|/o:53-56|/u:43-47 |
| 5917 | | |
| 5918 | | 400 atoms, 402 bonds, 24 residues, 1 model selected |
| 5919 | | |
| 5920 | | > isolde sim start sel |
| 5921 | | |
| 5922 | | ISOLDE: started sim |
| 5923 | | |
| 5924 | | > ui tool show "Ramachandran Plot" |
| 5925 | | |
| 5926 | | > isolde sim pause |
| 5927 | | |
| 5928 | | > ui tool show "Ramachandran Plot" |
| 5929 | | |
| 5930 | | [Repeated 2 time(s)] |
| 5931 | | |
| 5932 | | > isolde sim resume |
| 5933 | | |
| 5934 | | > isolde sim stop |
| 5935 | | |
| 5936 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5937 | | chains... |
| 5938 | | ISOLDE: stopped sim |
| 5939 | | |
| 5940 | | > select #1/u:35 |
| 5941 | | |
| 5942 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5943 | | |
| 5944 | | > view #1/u:35 |
| 5945 | | |
| 5946 | | > select #1/u:35 |
| 5947 | | |
| 5948 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5949 | | |
| 5950 | | > select #1/u:35 |
| 5951 | | |
| 5952 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5953 | | |
| 5954 | | > isolde sim start sel |
| 5955 | | |
| 5956 | | ISOLDE: started sim |
| 5957 | | |
| 5958 | | > ui tool show "Ramachandran Plot" |
| 5959 | | |
| 5960 | | > isolde sim stop |
| 5961 | | |
| 5962 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5963 | | chains... |
| 5964 | | ISOLDE: stopped sim |
| 5965 | | |
| 5966 | | > view #1/u:25 |
| 5967 | | |
| 5968 | | > select #1/u:25 |
| 5969 | | |
| 5970 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 5971 | | |
| 5972 | | > isolde sim start sel |
| 5973 | | |
| 5974 | | ISOLDE: started sim |
| 5975 | | |
| 5976 | | > ui tool show "Ramachandran Plot" |
| 5977 | | |
| 5978 | | > select clear |
| 5979 | | |
| 5980 | | > isolde sim stop |
| 5981 | | |
| 5982 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5983 | | chains... |
| 5984 | | ISOLDE: stopped sim |
| 5985 | | |
| 5986 | | > view #1/u:60-65|/u:8-12 |
| 5987 | | |
| 5988 | | > select #1/u:60-65|/u:8-12 |
| 5989 | | |
| 5990 | | 180 atoms, 180 bonds, 11 residues, 1 model selected |
| 5991 | | |
| 5992 | | > isolde sim start sel |
| 5993 | | |
| 5994 | | ISOLDE: started sim |
| 5995 | | |
| 5996 | | > ui tool show "Ramachandran Plot" |
| 5997 | | |
| 5998 | | > isolde sim stop |
| 5999 | | |
| 6000 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6001 | | chains... |
| 6002 | | ISOLDE: stopped sim |
| 6003 | | |
| 6004 | | > view #1/u:12 |
| 6005 | | |
| 6006 | | > select sim start sel |
| 6007 | | |
| 6008 | | Expected an objects specifier or a keyword |
| 6009 | | |
| 6010 | | > view #1/u:12 |
| 6011 | | |
| 6012 | | > select #1/u:12 |
| 6013 | | |
| 6014 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 6015 | | |
| 6016 | | > isolde sim start sel |
| 6017 | | |
| 6018 | | ISOLDE: started sim |
| 6019 | | |
| 6020 | | > ui tool show "Ramachandran Plot" |
| 6021 | | |
| 6022 | | > isolde sim stop |
| 6023 | | |
| 6024 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6025 | | chains... |
| 6026 | | ISOLDE: stopped sim |
| 6027 | | |
| 6028 | | > isolde sim start sel |
| 6029 | | |
| 6030 | | ISOLDE: started sim |
| 6031 | | |
| 6032 | | > ui tool show "Ramachandran Plot" |
| 6033 | | |
| 6034 | | [Repeated 1 time(s)] |
| 6035 | | |
| 6036 | | > select clear |
| 6037 | | |
| 6038 | | > isolde sim stop |
| 6039 | | |
| 6040 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6041 | | chains... |
| 6042 | | ISOLDE: stopped sim |
| 6043 | | |
| 6044 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6045 | | > mut8-no-C-ter/4-KSRP-no-C-ter-Step1-FourtenthSubsteps-End1d1db.cxs |
| 6046 | | |
| 6047 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 6048 | | |
| 6049 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6050 | | > mut8-no-C-ter/14-KSRP-no-C-ter-Step1-FourtenthSubsteps-End1d1db.pdb |
| 6051 | | |
| 6052 | | > isolde cisflip #1.2/Q:137 |
| 6053 | | |
| 6054 | | Performing cis<\-->trans flip for 1 residues |
| 6055 | | ISOLDE: started sim |
| 6056 | | |
| 6057 | | > isolde sim stop discardTo start |
| 6058 | | |
| 6059 | | reverting to start |
| 6060 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6061 | | chains... |
| 6062 | | ISOLDE: stopped sim |
| 6063 | | |
| 6064 | | > isolde sim start sel |
| 6065 | | |
| 6066 | | ISOLDE: started sim |
| 6067 | | |
| 6068 | | > isolde sim stop discardTo start |
| 6069 | | |
| 6070 | | reverting to start |
| 6071 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6072 | | chains... |
| 6073 | | ISOLDE: stopped sim |
| 6074 | | |
| 6075 | | > isolde sim start sel |
| 6076 | | |
| 6077 | | ISOLDE: started sim |
| 6078 | | |
| 6079 | | > isolde cisflip sel |
| 6080 | | |
| 6081 | | Performing cis<\-->trans flip for 1 residues |
| 6082 | | |
| 6083 | | > isolde cisflip #1.2/Q:137 |
| 6084 | | |
| 6085 | | Performing cis<\-->trans flip for 1 residues |
| 6086 | | |
| 6087 | | > isolde pepflip sel |
| 6088 | | |
| 6089 | | Flipping the peptide bond for 1 residues |
| 6090 | | |
| 6091 | | > select clear |
| 6092 | | |
| 6093 | | [Repeated 2 time(s)] |
| 6094 | | |
| 6095 | | > ui tool show "Ramachandran Plot" |
| 6096 | | |
| 6097 | | > select clear |
| 6098 | | |
| 6099 | | > ui tool show "Ramachandran Plot" |
| 6100 | | |
| 6101 | | > view #1/Q:137 |
| 6102 | | |
| 6103 | | > isolde sim pause |
| 6104 | | |
| 6105 | | > isolde sim stop |
| 6106 | | |
| 6107 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6108 | | chains... |
| 6109 | | ISOLDE: stopped sim |
| 6110 | | |
| 6111 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6112 | | > mut8-no-C-ter/15-KSRP-no-C-ter-Step1-FifttenthSubsteps.pdb |
| 6113 | | |
| 6114 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6115 | | > mut8-no-C-ter/15-KSRP-no-C-ter-Step1-FifttenthSubsteps.cxs |
| 6116 | | |
| 6117 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 6118 | | |
| 6119 | | > view #1/Q:137 |
| 6120 | | |
| 6121 | | > select #1/Q:137 |
| 6122 | | |
| 6123 | | 14 atoms, 14 bonds, 1 residue, 1 model selected |
| 6124 | | |
| 6125 | | > isolde sim start sel |
| 6126 | | |
| 6127 | | ISOLDE: started sim |
| 6128 | | |
| 6129 | | > ui tool show "Ramachandran Plot" |
| 6130 | | |
| 6131 | | > isolde pepflip sel |
| 6132 | | |
| 6133 | | Flipping the peptide bond for 1 residues |
| 6134 | | |
| 6135 | | > ui tool show "Ramachandran Plot" |
| 6136 | | |
| 6137 | | > isolde pepflip sel |
| 6138 | | |
| 6139 | | Flipping the peptide bond for 1 residues |
| 6140 | | |
| 6141 | | > select clear |
| 6142 | | |
| 6143 | | > isolde pepflip sel |
| 6144 | | |
| 6145 | | Flipping the peptide bond for 1 residues |
| 6146 | | |
| 6147 | | > select clear |
| 6148 | | |
| 6149 | | [Repeated 1 time(s)] |
| 6150 | | |
| 6151 | | > ui tool show "Ramachandran Plot" |
| 6152 | | |
| 6153 | | [Repeated 1 time(s)] |
| 6154 | | |
| 6155 | | > isolde sim stop |
| 6156 | | |
| 6157 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6158 | | chains... |
| 6159 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 6160 | | standards. |
| 6161 | | ISOLDE: stopped sim |
| 6162 | | |
| 6163 | | > isolde sim start sel |
| 6164 | | |
| 6165 | | ISOLDE: started sim |
| 6166 | | |
| 6167 | | > isolde sim stop discardTo start |
| 6168 | | |
| 6169 | | reverting to start |
| 6170 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6171 | | chains... |
| 6172 | | ISOLDE: stopped sim |
| 6173 | | |
| 6174 | | > select #1/Q:181 |
| 6175 | | |
| 6176 | | 19 atoms, 18 bonds, 1 residue, 1 model selected |
| 6177 | | |
| 6178 | | > isolde sim start sel |
| 6179 | | |
| 6180 | | ISOLDE: started sim |
| 6181 | | |
| 6182 | | > ui tool show "Ramachandran Plot" |
| 6183 | | |
| 6184 | | > isolde sim stop |
| 6185 | | |
| 6186 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6187 | | chains... |
| 6188 | | ISOLDE: stopped sim |
| 6189 | | |
| 6190 | | > view #1/Q:137 |
| 6191 | | |
| 6192 | | > select #1/Q:137 |
| 6193 | | |
| 6194 | | 14 atoms, 14 bonds, 1 residue, 1 model selected |
| 6195 | | |
| 6196 | | > isolde sim start sel |
| 6197 | | |
| 6198 | | ISOLDE: started sim |
| 6199 | | |
| 6200 | | > ui tool show "Ramachandran Plot" |
| 6201 | | |
| 6202 | | > select clear |
| 6203 | | |
| 6204 | | > isolde sim stop |
| 6205 | | |
| 6206 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6207 | | chains... |
| 6208 | | ISOLDE: stopped sim |
| 6209 | | |
| 6210 | | > isolde sim start sel |
| 6211 | | |
| 6212 | | ISOLDE: started sim |
| 6213 | | |
| 6214 | | > isolde cisflip #1.2/O:156 |
| 6215 | | |
| 6216 | | Performing cis<\-->trans flip for 1 residues |
| 6217 | | |
| 6218 | | > isolde pepflip sel |
| 6219 | | |
| 6220 | | Flipping the peptide bond for 1 residues |
| 6221 | | |
| 6222 | | > isolde pepflip sel |
| 6223 | | |
| 6224 | | Flipping the peptide bond for 1 residues |
| 6225 | | |
| 6226 | | > select clear |
| 6227 | | |
| 6228 | | > isolde pepflip sel |
| 6229 | | |
| 6230 | | Flipping the peptide bond for 1 residues |
| 6231 | | |
| 6232 | | > isolde pepflip sel |
| 6233 | | |
| 6234 | | Flipping the peptide bond for 1 residues |
| 6235 | | |
| 6236 | | > isolde sim stop discardTo start |
| 6237 | | |
| 6238 | | reverting to start |
| 6239 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6240 | | chains... |
| 6241 | | ISOLDE: stopped sim |
| 6242 | | |
| 6243 | | > view #1/Q:137 |
| 6244 | | |
| 6245 | | [Repeated 1 time(s)] |
| 6246 | | |
| 6247 | | > view #1/Q:156 |
| 6248 | | |
| 6249 | | > select #1/Q:156 |
| 6250 | | |
| 6251 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 6252 | | |
| 6253 | | > select #1/O:156 |
| 6254 | | |
| 6255 | | 14 atoms, 14 bonds, 1 residue, 1 model selected |
| 6256 | | |
| 6257 | | > view #1/O:156 |
| 6258 | | |
| 6259 | | > select clear |
| 6260 | | |
| 6261 | | > isolde sim start sel |
| 6262 | | |
| 6263 | | ISOLDE: started sim |
| 6264 | | |
| 6265 | | > isolde cisflip #1.2/Q:44 |
| 6266 | | |
| 6267 | | Performing cis<\-->trans flip for 1 residues |
| 6268 | | |
| 6269 | | > isolde pepflip sel |
| 6270 | | |
| 6271 | | Flipping the peptide bond for 1 residues |
| 6272 | | |
| 6273 | | > isolde pepflip sel |
| 6274 | | |
| 6275 | | Flipping the peptide bond for 1 residues |
| 6276 | | |
| 6277 | | > isolde pepflip sel |
| 6278 | | |
| 6279 | | Flipping the peptide bond for 1 residues |
| 6280 | | |
| 6281 | | > isolde pepflip sel |
| 6282 | | |
| 6283 | | Flipping the peptide bond for 1 residues |
| 6284 | | |
| 6285 | | > select clear |
| 6286 | | |
| 6287 | | > isolde pepflip sel |
| 6288 | | |
| 6289 | | Flipping the peptide bond for 1 residues |
| 6290 | | |
| 6291 | | > isolde pepflip sel |
| 6292 | | |
| 6293 | | Flipping the peptide bond for 1 residues |
| 6294 | | |
| 6295 | | > ui tool show "Ramachandran Plot" |
| 6296 | | |
| 6297 | | > isolde sim stop discardTo start |
| 6298 | | |
| 6299 | | reverting to start |
| 6300 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6301 | | chains... |
| 6302 | | ISOLDE: stopped sim |
| 6303 | | |
| 6304 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6305 | | > mut8-no-C-ter/15-KSRP-no-C-ter-Step1-FivetenthSubsteps-Final-of-PART-1d1.cxs |
| 6306 | | |
| 6307 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 6308 | | |
| 6309 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6310 | | > mut8-no-C-ter/16-KSRP-no-C-ter-Step1-FivetenthSubsteps-Final-of-PART-1d1.pdb |
| 6311 | | |
| 6312 | | > ui tool show "Ramachandran Plot" |
| 6313 | | |
| 6314 | | [Repeated 1 time(s)] |
| 6315 | | |
| 6316 | | > isolde sim start sel |
| 6317 | | |
| 6318 | | ISOLDE: started sim |
| 6319 | | |
| 6320 | | > ui tool show "Ramachandran Plot" |
| 6321 | | |
| 6322 | | > select clear |
| 6323 | | |
| 6324 | | > isolde pepflip sel |
| 6325 | | |
| 6326 | | Flipping the peptide bond for 1 residues |
| 6327 | | |
| 6328 | | > isolde pepflip sel |
| 6329 | | |
| 6330 | | Flipping the peptide bond for 1 residues |
| 6331 | | |
| 6332 | | > select clear |
| 6333 | | |
| 6334 | | [Repeated 1 time(s)] |
| 6335 | | |
| 6336 | | > isolde sim pause |
| 6337 | | |
| 6338 | | > isolde sim resume |
| 6339 | | |
| 6340 | | > isolde pepflip sel |
| 6341 | | |
| 6342 | | Flipping the peptide bond for 1 residues |
| 6343 | | |
| 6344 | | > isolde pepflip sel |
| 6345 | | |
| 6346 | | Flipping the peptide bond for 1 residues |
| 6347 | | |
| 6348 | | > select clear |
| 6349 | | |
| 6350 | | 3 models selected |
| 6351 | | |
| 6352 | | > select clear |
| 6353 | | |
| 6354 | | > ui tool show "Ramachandran Plot" |
| 6355 | | |
| 6356 | | > isolde sim pause |
| 6357 | | |
| 6358 | | > ui tool show "Ramachandran Plot" |
| 6359 | | |
| 6360 | | > view #1/h:163 |
| 6361 | | |
| 6362 | | > ui tool show "Ramachandran Plot" |
| 6363 | | |
| 6364 | | > isolde sim stop |
| 6365 | | |
| 6366 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6367 | | chains... |
| 6368 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 6369 | | standards. |
| 6370 | | ISOLDE: stopped sim |
| 6371 | | |
| 6372 | | > ui tool show "Ramachandran Plot" |
| 6373 | | |
| 6374 | | > view #1/h:163 |
| 6375 | | |
| 6376 | | > isolde sim start sel |
| 6377 | | |
| 6378 | | ISOLDE: started sim |
| 6379 | | |
| 6380 | | > ui tool show "Ramachandran Plot" |
| 6381 | | |
| 6382 | | Traceback (most recent call last): |
| 6383 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6384 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 6385 | | func(*args, **kwargs) |
| 6386 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 6387 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 6388 | | on_resize |
| 6389 | | c.draw() |
| 6390 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6391 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 6392 | | self.figure.draw(self.renderer) |
| 6393 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6394 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 6395 | | result = draw(artist, renderer, *args, **kwargs) |
| 6396 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6397 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 6398 | | return draw(artist, renderer) |
| 6399 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6400 | | packages/matplotlib/figure.py", line 2796, in draw |
| 6401 | | artists = self._get_draw_artists(renderer) |
| 6402 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6403 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 6404 | | ax.apply_aspect() |
| 6405 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6406 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 6407 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 6408 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6409 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 6410 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 6411 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 6412 | | |
| 6413 | | > select clear |
| 6414 | | |
| 6415 | | [Repeated 3 time(s)] |
| 6416 | | |
| 6417 | | > isolde pepflip sel |
| 6418 | | |
| 6419 | | Flipping the peptide bond for 1 residues |
| 6420 | | |
| 6421 | | > isolde pepflip sel |
| 6422 | | |
| 6423 | | Flipping the peptide bond for 1 residues |
| 6424 | | |
| 6425 | | > isolde pepflip sel |
| 6426 | | |
| 6427 | | Flipping the peptide bond for 1 residues |
| 6428 | | |
| 6429 | | > select clear |
| 6430 | | |
| 6431 | | > isolde pepflip sel |
| 6432 | | |
| 6433 | | Flipping the peptide bond for 1 residues |
| 6434 | | |
| 6435 | | > isolde pepflip sel |
| 6436 | | |
| 6437 | | Flipping the peptide bond for 1 residues |
| 6438 | | |
| 6439 | | > select clear |
| 6440 | | |
| 6441 | | > ui tool show "Ramachandran Plot" |
| 6442 | | |
| 6443 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6444 | | |
| 6445 | | > isolde pepflip sel |
| 6446 | | |
| 6447 | | Flipping the peptide bond for 1 residues |
| 6448 | | |
| 6449 | | > isolde pepflip sel |
| 6450 | | |
| 6451 | | Flipping the peptide bond for 1 residues |
| 6452 | | |
| 6453 | | > select clear |
| 6454 | | |
| 6455 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6456 | | |
| 6457 | | > isolde sim pause |
| 6458 | | |
| 6459 | | > select #1/h:180|/h:184 |
| 6460 | | |
| 6461 | | 28 atoms, 26 bonds, 2 residues, 1 model selected |
| 6462 | | |
| 6463 | | > isolde sim start sel |
| 6464 | | |
| 6465 | | Simulation already running! |
| 6466 | | |
| 6467 | | > isolde sim stop |
| 6468 | | |
| 6469 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6470 | | chains... |
| 6471 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 6472 | | standards. |
| 6473 | | ISOLDE: stopped sim |
| 6474 | | |
| 6475 | | > isolde sim start sel |
| 6476 | | |
| 6477 | | ISOLDE: started sim |
| 6478 | | |
| 6479 | | > select clear |
| 6480 | | |
| 6481 | | > isolde pepflip sel |
| 6482 | | |
| 6483 | | Flipping the peptide bond for 1 residues |
| 6484 | | |
| 6485 | | > isolde pepflip sel |
| 6486 | | |
| 6487 | | Flipping the peptide bond for 1 residues |
| 6488 | | |
| 6489 | | > isolde pepflip sel |
| 6490 | | |
| 6491 | | Flipping the peptide bond for 1 residues |
| 6492 | | |
| 6493 | | > select clear |
| 6494 | | |
| 6495 | | [Repeated 1 time(s)] |
| 6496 | | |
| 6497 | | > isolde pepflip sel |
| 6498 | | |
| 6499 | | Flipping the peptide bond for 1 residues |
| 6500 | | |
| 6501 | | > select clear |
| 6502 | | |
| 6503 | | > isolde pepflip sel |
| 6504 | | |
| 6505 | | Flipping the peptide bond for 1 residues |
| 6506 | | |
| 6507 | | > select clear |
| 6508 | | |
| 6509 | | > isolde sim pause |
| 6510 | | |
| 6511 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6512 | | > mut8-no-C-ter/17-KSRP-no-C-ter-Step1-SevententhSubstep.pdb |
| 6513 | | |
| 6514 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6515 | | > mut8-no-C-ter/17-KSRP-no-C-ter-Step1-SevententhSubstep.cxs |
| 6516 | | |
| 6517 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 6518 | | |
| 6519 | | > isolde sim start sel |
| 6520 | | |
| 6521 | | Simulation already running! |
| 6522 | | |
| 6523 | | > isolde sim resume |
| 6524 | | |
| 6525 | | > select clear |
| 6526 | | |
| 6527 | | [Repeated 4 time(s)] |
| 6528 | | |
| 6529 | | > isolde pepflip sel |
| 6530 | | |
| 6531 | | Flipping the peptide bond for 1 residues |
| 6532 | | |
| 6533 | | > isolde pepflip sel |
| 6534 | | |
| 6535 | | Flipping the peptide bond for 1 residues |
| 6536 | | |
| 6537 | | > select clear |
| 6538 | | |
| 6539 | | > isolde pepflip sel |
| 6540 | | |
| 6541 | | Flipping the peptide bond for 1 residues |
| 6542 | | |
| 6543 | | > select #1/h |
| 6544 | | |
| 6545 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 6546 | | |
| 6547 | | > select clear |
| 6548 | | |
| 6549 | | > ui tool show "Ramachandran Plot" |
| 6550 | | |
| 6551 | | > view #1/h:N183 |
| 6552 | | |
| 6553 | | No objects specified. |
| 6554 | | |
| 6555 | | > view #1/h:183 |
| 6556 | | |
| 6557 | | > isolde sim pause |
| 6558 | | |
| 6559 | | > isolde sim resume |
| 6560 | | |
| 6561 | | > select clear |
| 6562 | | |
| 6563 | | [Repeated 2 time(s)] |
| 6564 | | |
| 6565 | | > isolde pepflip sel |
| 6566 | | |
| 6567 | | Flipping the peptide bond for 1 residues |
| 6568 | | |
| 6569 | | > isolde pepflip sel |
| 6570 | | |
| 6571 | | Flipping the peptide bond for 1 residues |
| 6572 | | |
| 6573 | | > isolde pepflip sel |
| 6574 | | |
| 6575 | | Flipping the peptide bond for 1 residues |
| 6576 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6577 | | [Repeated 1 time(s)] |
| 6578 | | |
| 6579 | | > select clear |
| 6580 | | |
| 6581 | | > isolde sim stop |
| 6582 | | |
| 6583 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6584 | | chains... |
| 6585 | | ISOLDE: stopped sim |
| 6586 | | |
| 6587 | | > view #1/h |
| 6588 | | |
| 6589 | | > select #1/h |
| 6590 | | |
| 6591 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 6592 | | |
| 6593 | | > isolde sim start sel |
| 6594 | | |
| 6595 | | ISOLDE: started sim |
| 6596 | | |
| 6597 | | > ui tool show "Ramachandran Plot" |
| 6598 | | |
| 6599 | | > isolde pepflip sel |
| 6600 | | |
| 6601 | | Flipping the peptide bond for 1 residues |
| 6602 | | |
| 6603 | | > select clear |
| 6604 | | |
| 6605 | | > isolde sim pause |
| 6606 | | |
| 6607 | | > isolde sim resume |
| 6608 | | |
| 6609 | | > select clear |
| 6610 | | |
| 6611 | | > isolde pepflip sel |
| 6612 | | |
| 6613 | | Flipping the peptide bond for 1 residues |
| 6614 | | |
| 6615 | | > select clear |
| 6616 | | |
| 6617 | | > isolde sim stop |
| 6618 | | |
| 6619 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6620 | | chains... |
| 6621 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 6622 | | standards. |
| 6623 | | ISOLDE: stopped sim |
| 6624 | | |
| 6625 | | > select #1/h |
| 6626 | | |
| 6627 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 6628 | | |
| 6629 | | > isolde sim start sel |
| 6630 | | |
| 6631 | | ISOLDE: started sim |
| 6632 | | |
| 6633 | | > select clear |
| 6634 | | |
| 6635 | | > isolde pepflip sel |
| 6636 | | |
| 6637 | | Flipping the peptide bond for 1 residues |
| 6638 | | |
| 6639 | | > isolde pepflip sel |
| 6640 | | |
| 6641 | | Flipping the peptide bond for 1 residues |
| 6642 | | |
| 6643 | | > isolde sim pause |
| 6644 | | |
| 6645 | | > ui tool show "Ramachandran Plot" |
| 6646 | | |
| 6647 | | > isolde sim resume |
| 6648 | | |
| 6649 | | > isolde pepflip sel |
| 6650 | | |
| 6651 | | Flipping the peptide bond for 1 residues |
| 6652 | | |
| 6653 | | > isolde pepflip sel |
| 6654 | | |
| 6655 | | Flipping the peptide bond for 1 residues |
| 6656 | | |
| 6657 | | > select #1/h:115-119 |
| 6658 | | |
| 6659 | | 85 atoms, 84 bonds, 5 residues, 1 model selected |
| 6660 | | |
| 6661 | | > select clear |
| 6662 | | |
| 6663 | | > select #1/h:215-219 |
| 6664 | | |
| 6665 | | 70 atoms, 69 bonds, 5 residues, 1 model selected |
| 6666 | | |
| 6667 | | > select #1/h:152-155 |
| 6668 | | |
| 6669 | | 61 atoms, 62 bonds, 4 residues, 1 model selected |
| 6670 | | |
| 6671 | | > select #1/h:152-156 |
| 6672 | | |
| 6673 | | 80 atoms, 81 bonds, 5 residues, 1 model selected |
| 6674 | | |
| 6675 | | > select #1/h |
| 6676 | | |
| 6677 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 6678 | | |
| 6679 | | > select clear |
| 6680 | | |
| 6681 | | [Repeated 1 time(s)] |
| 6682 | | |
| 6683 | | > isolde pepflip sel |
| 6684 | | |
| 6685 | | Flipping the peptide bond for 1 residues |
| 6686 | | |
| 6687 | | > select clear |
| 6688 | | |
| 6689 | | > isolde pepflip sel |
| 6690 | | |
| 6691 | | Flipping the peptide bond for 1 residues |
| 6692 | | |
| 6693 | | > isolde pepflip sel |
| 6694 | | |
| 6695 | | Flipping the peptide bond for 1 residues |
| 6696 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6697 | | |
| 6698 | | > select clear |
| 6699 | | |
| 6700 | | [Repeated 1 time(s)] |
| 6701 | | |
| 6702 | | > isolde pepflip sel |
| 6703 | | |
| 6704 | | Flipping the peptide bond for 1 residues |
| 6705 | | |
| 6706 | | > select clear |
| 6707 | | |
| 6708 | | > isolde sim pause |
| 6709 | | |
| 6710 | | > isolde sim resume |
| 6711 | | |
| 6712 | | > ui tool show "Ramachandran Plot" |
| 6713 | | |
| 6714 | | > isolde sim pause |
| 6715 | | |
| 6716 | | > isolde sim resume |
| 6717 | | |
| 6718 | | > view #1/P:244 |
| 6719 | | |
| 6720 | | > view #1/h |
| 6721 | | |
| 6722 | | > ui tool show "Ramachandran Plot" |
| 6723 | | |
| 6724 | | 3 models selected |
| 6725 | | [Repeated 2 time(s)] |
| 6726 | | |
| 6727 | | > isolde sim pause |
| 6728 | | |
| 6729 | | > isolde sim resume |
| 6730 | | |
| 6731 | | > isolde sim pause |
| 6732 | | |
| 6733 | | > isolde sim resume |
| 6734 | | |
| 6735 | | > select clear |
| 6736 | | |
| 6737 | | 3 models selected |
| 6738 | | |
| 6739 | | > select clear |
| 6740 | | |
| 6741 | | > ui tool show "Ramachandran Plot" |
| 6742 | | |
| 6743 | | [Repeated 1 time(s)] |
| 6744 | | |
| 6745 | | > isolde sim pause |
| 6746 | | |
| 6747 | | > isolde sim resume |
| 6748 | | |
| 6749 | | > isolde sim pause |
| 6750 | | |
| 6751 | | > ui tool show "Ramachandran Plot" |
| 6752 | | |
| 6753 | | > isolde sim resume |
| 6754 | | |
| 6755 | | > select clear |
| 6756 | | |
| 6757 | | > isolde pepflip sel |
| 6758 | | |
| 6759 | | Flipping the peptide bond for 1 residues |
| 6760 | | |
| 6761 | | > select clear |
| 6762 | | |
| 6763 | | > isolde pepflip sel |
| 6764 | | |
| 6765 | | Flipping the peptide bond for 1 residues |
| 6766 | | |
| 6767 | | > select clear |
| 6768 | | |
| 6769 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6770 | | |
| 6771 | | > ui tool show "Ramachandran Plot" |
| 6772 | | |
| 6773 | | > isolde sim pause |
| 6774 | | |
| 6775 | | > isolde sim resume |
| 6776 | | |
| 6777 | | > select clear |
| 6778 | | |
| 6779 | | [Repeated 2 time(s)] |
| 6780 | | |
| 6781 | | > isolde pepflip sel |
| 6782 | | |
| 6783 | | Flipping the peptide bond for 1 residues |
| 6784 | | |
| 6785 | | > select clear |
| 6786 | | |
| 6787 | | > isolde pepflip sel |
| 6788 | | |
| 6789 | | Flipping the peptide bond for 1 residues |
| 6790 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6791 | | |
| 6792 | | > select clear |
| 6793 | | |
| 6794 | | > ui tool show "Ramachandran Plot" |
| 6795 | | |
| 6796 | | > isolde pepflip sel |
| 6797 | | |
| 6798 | | Flipping the peptide bond for 1 residues |
| 6799 | | |
| 6800 | | > select clear |
| 6801 | | |
| 6802 | | > isolde pepflip sel |
| 6803 | | |
| 6804 | | Flipping the peptide bond for 1 residues |
| 6805 | | |
| 6806 | | > select clear |
| 6807 | | |
| 6808 | | > ui tool show "Ramachandran Plot" |
| 6809 | | |
| 6810 | | > select clear |
| 6811 | | |
| 6812 | | [Repeated 3 time(s)] |
| 6813 | | |
| 6814 | | > ui tool show "Ramachandran Plot" |
| 6815 | | |
| 6816 | | > isolde sim pause |
| 6817 | | |
| 6818 | | > isolde sim resume |
| 6819 | | |
| 6820 | | > ui tool show "Ramachandran Plot" |
| 6821 | | |
| 6822 | | > select clear |
| 6823 | | |
| 6824 | | [Repeated 1 time(s)] |
| 6825 | | |
| 6826 | | > ui tool show "Ramachandran Plot" |
| 6827 | | |
| 6828 | | [Repeated 5 time(s)] |
| 6829 | | |
| 6830 | | > isolde pepflip sel |
| 6831 | | |
| 6832 | | Flipping the peptide bond for 1 residues |
| 6833 | | |
| 6834 | | > select clear |
| 6835 | | |
| 6836 | | > isolde pepflip sel |
| 6837 | | |
| 6838 | | Flipping the peptide bond for 1 residues |
| 6839 | | |
| 6840 | | > select clear |
| 6841 | | |
| 6842 | | > isolde pepflip sel |
| 6843 | | |
| 6844 | | Flipping the peptide bond for 1 residues |
| 6845 | | |
| 6846 | | > select clear |
| 6847 | | |
| 6848 | | > isolde pepflip sel |
| 6849 | | |
| 6850 | | Flipping the peptide bond for 1 residues |
| 6851 | | |
| 6852 | | > isolde pepflip sel |
| 6853 | | |
| 6854 | | Flipping the peptide bond for 1 residues |
| 6855 | | |
| 6856 | | > ui tool show "Ramachandran Plot" |
| 6857 | | |
| 6858 | | > select clear |
| 6859 | | |
| 6860 | | > isolde pepflip sel |
| 6861 | | |
| 6862 | | Flipping the peptide bond for 1 residues |
| 6863 | | |
| 6864 | | > isolde pepflip sel |
| 6865 | | |
| 6866 | | Flipping the peptide bond for 1 residues |
| 6867 | | |
| 6868 | | > ui tool show "Ramachandran Plot" |
| 6869 | | |
| 6870 | | [Repeated 1 time(s)]Traceback (most recent call last): |
| 6871 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6872 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 6873 | | func(*args, **kwargs) |
| 6874 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 6875 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 6876 | | on_resize |
| 6877 | | c.draw() |
| 6878 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6879 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 6880 | | self.figure.draw(self.renderer) |
| 6881 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6882 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 6883 | | result = draw(artist, renderer, *args, **kwargs) |
| 6884 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6885 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 6886 | | return draw(artist, renderer) |
| 6887 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6888 | | packages/matplotlib/figure.py", line 2796, in draw |
| 6889 | | artists = self._get_draw_artists(renderer) |
| 6890 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6891 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 6892 | | ax.apply_aspect() |
| 6893 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6894 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 6895 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 6896 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6897 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 6898 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 6899 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 6900 | | |
| 6901 | | > select clear |
| 6902 | | |
| 6903 | | > ui tool show "Ramachandran Plot" |
| 6904 | | |
| 6905 | | > isolde pepflip sel |
| 6906 | | |
| 6907 | | Flipping the peptide bond for 1 residues |
| 6908 | | |
| 6909 | | > select clear |
| 6910 | | |
| 6911 | | > isolde pepflip sel |
| 6912 | | |
| 6913 | | Flipping the peptide bond for 1 residues |
| 6914 | | |
| 6915 | | > isolde pepflip sel |
| 6916 | | |
| 6917 | | Flipping the peptide bond for 1 residues |
| 6918 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6919 | | Traceback (most recent call last): |
| 6920 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6921 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 6922 | | func(*args, **kwargs) |
| 6923 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 6924 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 6925 | | on_resize |
| 6926 | | c.draw() |
| 6927 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6928 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 6929 | | self.figure.draw(self.renderer) |
| 6930 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6931 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 6932 | | result = draw(artist, renderer, *args, **kwargs) |
| 6933 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6934 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 6935 | | return draw(artist, renderer) |
| 6936 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6937 | | packages/matplotlib/figure.py", line 2796, in draw |
| 6938 | | artists = self._get_draw_artists(renderer) |
| 6939 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6940 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 6941 | | ax.apply_aspect() |
| 6942 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6943 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 6944 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 6945 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6946 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 6947 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 6948 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 6949 | | |
| 6950 | | > isolde pepflip sel |
| 6951 | | |
| 6952 | | Flipping the peptide bond for 1 residues |
| 6953 | | |
| 6954 | | > select #1/h |
| 6955 | | |
| 6956 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 6957 | | |
| 6958 | | > select clear |
| 6959 | | |
| 6960 | | [Repeated 1 time(s)] |
| 6961 | | |
| 6962 | | > ui tool show "Ramachandran Plot" |
| 6963 | | |
| 6964 | | Traceback (most recent call last): |
| 6965 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6966 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 6967 | | func(*args, **kwargs) |
| 6968 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 6969 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 6970 | | on_resize |
| 6971 | | c.draw() |
| 6972 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6973 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 6974 | | self.figure.draw(self.renderer) |
| 6975 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6976 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 6977 | | result = draw(artist, renderer, *args, **kwargs) |
| 6978 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6979 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 6980 | | return draw(artist, renderer) |
| 6981 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6982 | | packages/matplotlib/figure.py", line 2796, in draw |
| 6983 | | artists = self._get_draw_artists(renderer) |
| 6984 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6985 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 6986 | | ax.apply_aspect() |
| 6987 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6988 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 6989 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 6990 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6991 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 6992 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 6993 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 6994 | | Traceback (most recent call last): |
| 6995 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6996 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 6997 | | func(*args, **kwargs) |
| 6998 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 6999 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7000 | | on_resize |
| 7001 | | c.draw() |
| 7002 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7003 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7004 | | self.figure.draw(self.renderer) |
| 7005 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7006 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7007 | | result = draw(artist, renderer, *args, **kwargs) |
| 7008 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7009 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7010 | | return draw(artist, renderer) |
| 7011 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7012 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7013 | | artists = self._get_draw_artists(renderer) |
| 7014 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7015 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7016 | | ax.apply_aspect() |
| 7017 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7018 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7019 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7020 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7021 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7022 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7023 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7024 | | |
| 7025 | | > isolde pepflip sel |
| 7026 | | |
| 7027 | | Flipping the peptide bond for 1 residues |
| 7028 | | |
| 7029 | | > select clear |
| 7030 | | |
| 7031 | | > isolde pepflip sel |
| 7032 | | |
| 7033 | | Flipping the peptide bond for 1 residues |
| 7034 | | |
| 7035 | | > select clear |
| 7036 | | |
| 7037 | | [Repeated 2 time(s)] |
| 7038 | | |
| 7039 | | > isolde pepflip sel |
| 7040 | | |
| 7041 | | Flipping the peptide bond for 1 residues |
| 7042 | | |
| 7043 | | > ui tool show "Ramachandran Plot" |
| 7044 | | |
| 7045 | | [Repeated 1 time(s)] |
| 7046 | | |
| 7047 | | > select clear |
| 7048 | | |
| 7049 | | > isolde pepflip sel |
| 7050 | | |
| 7051 | | Flipping the peptide bond for 1 residues |
| 7052 | | |
| 7053 | | > isolde pepflip sel |
| 7054 | | |
| 7055 | | Flipping the peptide bond for 1 residues |
| 7056 | | |
| 7057 | | > ui tool show "Ramachandran Plot" |
| 7058 | | |
| 7059 | | > select clear |
| 7060 | | |
| 7061 | | [Repeated 1 time(s)] |
| 7062 | | |
| 7063 | | > isolde pepflip sel |
| 7064 | | |
| 7065 | | Flipping the peptide bond for 1 residues |
| 7066 | | |
| 7067 | | > select clear |
| 7068 | | |
| 7069 | | > isolde pepflip sel |
| 7070 | | |
| 7071 | | Flipping the peptide bond for 1 residues |
| 7072 | | |
| 7073 | | > isolde pepflip sel |
| 7074 | | |
| 7075 | | Flipping the peptide bond for 1 residues |
| 7076 | | |
| 7077 | | > select clear |
| 7078 | | |
| 7079 | | > isolde pepflip sel |
| 7080 | | |
| 7081 | | Flipping the peptide bond for 1 residues |
| 7082 | | |
| 7083 | | > select clear |
| 7084 | | |
| 7085 | | [Repeated 1 time(s)] |
| 7086 | | |
| 7087 | | > select #1/h |
| 7088 | | |
| 7089 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7090 | | |
| 7091 | | > select #1/h |
| 7092 | | |
| 7093 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7094 | | |
| 7095 | | > ui tool show "Ramachandran Plot" |
| 7096 | | |
| 7097 | | > select clear |
| 7098 | | |
| 7099 | | Traceback (most recent call last): |
| 7100 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7101 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7102 | | func(*args, **kwargs) |
| 7103 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7104 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7105 | | on_resize |
| 7106 | | c.draw() |
| 7107 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7108 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7109 | | self.figure.draw(self.renderer) |
| 7110 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7111 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7112 | | result = draw(artist, renderer, *args, **kwargs) |
| 7113 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7114 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7115 | | return draw(artist, renderer) |
| 7116 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7117 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7118 | | artists = self._get_draw_artists(renderer) |
| 7119 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7120 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7121 | | ax.apply_aspect() |
| 7122 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7123 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7124 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7125 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7126 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7127 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7128 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7129 | | Traceback (most recent call last): |
| 7130 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7131 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7132 | | func(*args, **kwargs) |
| 7133 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7134 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7135 | | on_resize |
| 7136 | | c.draw() |
| 7137 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7138 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7139 | | self.figure.draw(self.renderer) |
| 7140 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7141 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7142 | | result = draw(artist, renderer, *args, **kwargs) |
| 7143 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7144 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7145 | | return draw(artist, renderer) |
| 7146 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7147 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7148 | | artists = self._get_draw_artists(renderer) |
| 7149 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7150 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7151 | | ax.apply_aspect() |
| 7152 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7153 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7154 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7155 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7156 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7157 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7158 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7159 | | |
| 7160 | | > isolde pepflip sel |
| 7161 | | |
| 7162 | | Flipping the peptide bond for 1 residues |
| 7163 | | |
| 7164 | | > isolde pepflip sel |
| 7165 | | |
| 7166 | | Flipping the peptide bond for 1 residues |
| 7167 | | Traceback (most recent call last): |
| 7168 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7169 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7170 | | func(*args, **kwargs) |
| 7171 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7172 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7173 | | on_resize |
| 7174 | | c.draw() |
| 7175 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7176 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7177 | | self.figure.draw(self.renderer) |
| 7178 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7179 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7180 | | result = draw(artist, renderer, *args, **kwargs) |
| 7181 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7182 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7183 | | return draw(artist, renderer) |
| 7184 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7185 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7186 | | artists = self._get_draw_artists(renderer) |
| 7187 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7188 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7189 | | ax.apply_aspect() |
| 7190 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7191 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7192 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7193 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7194 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7195 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7196 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7197 | | |
| 7198 | | > ui tool show "Ramachandran Plot" |
| 7199 | | |
| 7200 | | > select #1/h |
| 7201 | | |
| 7202 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7203 | | |
| 7204 | | > select clear |
| 7205 | | |
| 7206 | | > ui tool show "Ramachandran Plot" |
| 7207 | | |
| 7208 | | [Repeated 1 time(s)] |
| 7209 | | |
| 7210 | | > select clear |
| 7211 | | |
| 7212 | | > ui tool show "Ramachandran Plot" |
| 7213 | | |
| 7214 | | Traceback (most recent call last): |
| 7215 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7216 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7217 | | func(*args, **kwargs) |
| 7218 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7219 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7220 | | on_resize |
| 7221 | | c.draw() |
| 7222 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7223 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7224 | | self.figure.draw(self.renderer) |
| 7225 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7226 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7227 | | result = draw(artist, renderer, *args, **kwargs) |
| 7228 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7229 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7230 | | return draw(artist, renderer) |
| 7231 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7232 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7233 | | artists = self._get_draw_artists(renderer) |
| 7234 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7235 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7236 | | ax.apply_aspect() |
| 7237 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7238 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7239 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7240 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7241 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7242 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7243 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7244 | | |
| 7245 | | > ui tool show "Ramachandran Plot" |
| 7246 | | |
| 7247 | | [Repeated 1 time(s)] |
| 7248 | | |
| 7249 | | > select clear |
| 7250 | | |
| 7251 | | > ui tool show "Ramachandran Plot" |
| 7252 | | |
| 7253 | | > isolde pepflip sel |
| 7254 | | |
| 7255 | | Flipping the peptide bond for 1 residues |
| 7256 | | |
| 7257 | | > select clear |
| 7258 | | |
| 7259 | | [Repeated 1 time(s)] |
| 7260 | | |
| 7261 | | > ui tool show "Ramachandran Plot" |
| 7262 | | |
| 7263 | | > select #1/h |
| 7264 | | |
| 7265 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7266 | | |
| 7267 | | > select #1/h |
| 7268 | | |
| 7269 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7270 | | |
| 7271 | | > select clear |
| 7272 | | |
| 7273 | | [Repeated 1 time(s)] |
| 7274 | | |
| 7275 | | > ui tool show "Ramachandran Plot" |
| 7276 | | |
| 7277 | | > select clear |
| 7278 | | |
| 7279 | | > isolde pepflip sel |
| 7280 | | |
| 7281 | | Flipping the peptide bond for 1 residues |
| 7282 | | |
| 7283 | | > isolde pepflip sel |
| 7284 | | |
| 7285 | | Flipping the peptide bond for 1 residues |
| 7286 | | |
| 7287 | | > select clear |
| 7288 | | |
| 7289 | | > isolde pepflip sel |
| 7290 | | |
| 7291 | | Flipping the peptide bond for 1 residues |
| 7292 | | |
| 7293 | | > select clear |
| 7294 | | |
| 7295 | | > isolde pepflip sel |
| 7296 | | |
| 7297 | | Flipping the peptide bond for 1 residues |
| 7298 | | |
| 7299 | | > select clear |
| 7300 | | |
| 7301 | | Traceback (most recent call last): |
| 7302 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7303 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7304 | | func(*args, **kwargs) |
| 7305 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7306 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7307 | | on_resize |
| 7308 | | c.draw() |
| 7309 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7310 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7311 | | self.figure.draw(self.renderer) |
| 7312 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7313 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7314 | | result = draw(artist, renderer, *args, **kwargs) |
| 7315 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7316 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7317 | | return draw(artist, renderer) |
| 7318 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7319 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7320 | | artists = self._get_draw_artists(renderer) |
| 7321 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7322 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7323 | | ax.apply_aspect() |
| 7324 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7325 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7326 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7327 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7328 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7329 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7330 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7331 | | |
| 7332 | | > isolde pepflip sel |
| 7333 | | |
| 7334 | | Flipping the peptide bond for 1 residues |
| 7335 | | |
| 7336 | | > ui tool show "Ramachandran Plot" |
| 7337 | | |
| 7338 | | > select clear |
| 7339 | | |
| 7340 | | [Repeated 1 time(s)] |
| 7341 | | |
| 7342 | | > ui tool show "Ramachandran Plot" |
| 7343 | | |
| 7344 | | > isolde pepflip sel |
| 7345 | | |
| 7346 | | Flipping the peptide bond for 1 residues |
| 7347 | | |
| 7348 | | > ui tool show "Ramachandran Plot" |
| 7349 | | |
| 7350 | | > isolde pepflip sel |
| 7351 | | |
| 7352 | | Flipping the peptide bond for 1 residues |
| 7353 | | |
| 7354 | | > isolde pepflip sel |
| 7355 | | |
| 7356 | | Flipping the peptide bond for 1 residues |
| 7357 | | |
| 7358 | | > select clear |
| 7359 | | |
| 7360 | | [Repeated 3 time(s)] |
| 7361 | | |
| 7362 | | > ui tool show "Ramachandran Plot" |
| 7363 | | |
| 7364 | | > isolde pepflip sel |
| 7365 | | |
| 7366 | | Flipping the peptide bond for 1 residues |
| 7367 | | |
| 7368 | | > select clear |
| 7369 | | |
| 7370 | | > ui tool show "Ramachandran Plot" |
| 7371 | | |
| 7372 | | > select #1/h |
| 7373 | | |
| 7374 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7375 | | |
| 7376 | | > select clear |
| 7377 | | |
| 7378 | | Traceback (most recent call last): |
| 7379 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7380 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7381 | | func(*args, **kwargs) |
| 7382 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7383 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7384 | | on_resize |
| 7385 | | c.draw() |
| 7386 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7387 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7388 | | self.figure.draw(self.renderer) |
| 7389 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7390 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7391 | | result = draw(artist, renderer, *args, **kwargs) |
| 7392 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7393 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7394 | | return draw(artist, renderer) |
| 7395 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7396 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7397 | | artists = self._get_draw_artists(renderer) |
| 7398 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7399 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7400 | | ax.apply_aspect() |
| 7401 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7402 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7403 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7404 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7405 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7406 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7407 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7408 | | |
| 7409 | | > select #1/h |
| 7410 | | |
| 7411 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7412 | | |
| 7413 | | > select #1/h |
| 7414 | | |
| 7415 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7416 | | |
| 7417 | | > ui tool show "Ramachandran Plot" |
| 7418 | | |
| 7419 | | > select clear |
| 7420 | | |
| 7421 | | [Repeated 1 time(s)] |
| 7422 | | |
| 7423 | | > ui tool show "Ramachandran Plot" |
| 7424 | | |
| 7425 | | Traceback (most recent call last): |
| 7426 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7427 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7428 | | func(*args, **kwargs) |
| 7429 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7430 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7431 | | on_resize |
| 7432 | | c.draw() |
| 7433 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7434 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7435 | | self.figure.draw(self.renderer) |
| 7436 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7437 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7438 | | result = draw(artist, renderer, *args, **kwargs) |
| 7439 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7440 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7441 | | return draw(artist, renderer) |
| 7442 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7443 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7444 | | artists = self._get_draw_artists(renderer) |
| 7445 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7446 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7447 | | ax.apply_aspect() |
| 7448 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7449 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7450 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7451 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7452 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7453 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7454 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7455 | | |
| 7456 | | > isolde pepflip sel |
| 7457 | | |
| 7458 | | Flipping the peptide bond for 1 residues |
| 7459 | | |
| 7460 | | > select clear |
| 7461 | | |
| 7462 | | > ui tool show "Ramachandran Plot" |
| 7463 | | |
| 7464 | | [Repeated 1 time(s)] |
| 7465 | | |
| 7466 | | > isolde pepflip sel |
| 7467 | | |
| 7468 | | Flipping the peptide bond for 1 residues |
| 7469 | | |
| 7470 | | > ui tool show "Ramachandran Plot" |
| 7471 | | |
| 7472 | | > select clear |
| 7473 | | |
| 7474 | | > ui tool show "Ramachandran Plot" |
| 7475 | | |
| 7476 | | > select clear |
| 7477 | | |
| 7478 | | [Repeated 1 time(s)] |
| 7479 | | |
| 7480 | | > ui tool show "Ramachandran Plot" |
| 7481 | | |
| 7482 | | [Repeated 2 time(s)]Traceback (most recent call last): |
| 7483 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7484 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7485 | | func(*args, **kwargs) |
| 7486 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7487 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7488 | | on_resize |
| 7489 | | c.draw() |
| 7490 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7491 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7492 | | self.figure.draw(self.renderer) |
| 7493 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7494 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7495 | | result = draw(artist, renderer, *args, **kwargs) |
| 7496 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7497 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7498 | | return draw(artist, renderer) |
| 7499 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7500 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7501 | | artists = self._get_draw_artists(renderer) |
| 7502 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7503 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7504 | | ax.apply_aspect() |
| 7505 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7506 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7507 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7508 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7509 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7510 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7511 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7512 | | |
| 7513 | | > isolde pepflip sel |
| 7514 | | |
| 7515 | | Flipping the peptide bond for 1 residues |
| 7516 | | Traceback (most recent call last): |
| 7517 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7518 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7519 | | func(*args, **kwargs) |
| 7520 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7521 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7522 | | on_resize |
| 7523 | | c.draw() |
| 7524 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7525 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7526 | | self.figure.draw(self.renderer) |
| 7527 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7528 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7529 | | result = draw(artist, renderer, *args, **kwargs) |
| 7530 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7531 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7532 | | return draw(artist, renderer) |
| 7533 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7534 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7535 | | artists = self._get_draw_artists(renderer) |
| 7536 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7537 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7538 | | ax.apply_aspect() |
| 7539 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7540 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7541 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7542 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7543 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7544 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7545 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7546 | | |
| 7547 | | > isolde pepflip sel |
| 7548 | | |
| 7549 | | Flipping the peptide bond for 1 residues |
| 7550 | | |
| 7551 | | > isolde sim stop |
| 7552 | | |
| 7553 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 7554 | | chains... |
| 7555 | | ISOLDE: Corrected atom nomenclature of 13 residues in model #1.2 to IUPAC-IUB |
| 7556 | | standards. |
| 7557 | | ISOLDE: stopped sim |
| 7558 | | |
| 7559 | | > select #1/h |
| 7560 | | |
| 7561 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7562 | | |
| 7563 | | > isolde sim start sel |
| 7564 | | |
| 7565 | | ISOLDE: started sim |
| 7566 | | |
| 7567 | | > ui tool show "Ramachandran Plot" |
| 7568 | | |
| 7569 | | [Repeated 1 time(s)] |
| 7570 | | |
| 7571 | | > isolde sim pause |
| 7572 | | |
| 7573 | | > isolde sim resume |
| 7574 | | |
| 7575 | | > ui tool show "Ramachandran Plot" |
| 7576 | | |
| 7577 | | > select clear |
| 7578 | | |
| 7579 | | > isolde pepflip sel |
| 7580 | | |
| 7581 | | Flipping the peptide bond for 1 residues |
| 7582 | | |
| 7583 | | > isolde pepflip sel |
| 7584 | | |
| 7585 | | Flipping the peptide bond for 1 residues |
| 7586 | | |
| 7587 | | > isolde pepflip sel |
| 7588 | | |
| 7589 | | Flipping the peptide bond for 1 residues |
| 7590 | | |
| 7591 | | > isolde pepflip sel |
| 7592 | | |
| 7593 | | Flipping the peptide bond for 1 residues |
| 7594 | | |
| 7595 | | > isolde pepflip sel |
| 7596 | | |
| 7597 | | Flipping the peptide bond for 1 residues |
| 7598 | | |
| 7599 | | > isolde pepflip sel |
| 7600 | | |
| 7601 | | Flipping the peptide bond for 1 residues |
| 7602 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 7603 | | |
| 7604 | | > select clear |
| 7605 | | |
| 7606 | | [Repeated 1 time(s)]Unable to flip peptide bond after 50 rounds. Giving up. |
| 7607 | | |
| 7608 | | > isolde pepflip sel |
| 7609 | | |
| 7610 | | Flipping the peptide bond for 1 residues |
| 7611 | | |
| 7612 | | > select #1/h |
| 7613 | | |
| 7614 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7615 | | |
| 7616 | | > select clear |
| 7617 | | |
| 7618 | | > isolde sim pause |
| 7619 | | |
| 7620 | | > isolde sim resume |
| 7621 | | |
| 7622 | | > ui tool show "Ramachandran Plot" |
| 7623 | | |
| 7624 | | > isolde pepflip sel |
| 7625 | | |
| 7626 | | Flipping the peptide bond for 1 residues |
| 7627 | | |
| 7628 | | > isolde pepflip sel |
| 7629 | | |
| 7630 | | Flipping the peptide bond for 1 residues |
| 7631 | | |
| 7632 | | > isolde pepflip sel |
| 7633 | | |
| 7634 | | Flipping the peptide bond for 1 residues |
| 7635 | | |
| 7636 | | > select clear |
| 7637 | | |
| 7638 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 7639 | | |
| 7640 | | > isolde pepflip sel |
| 7641 | | |
| 7642 | | Flipping the peptide bond for 1 residues |
| 7643 | | |
| 7644 | | > isolde pepflip sel |
| 7645 | | |
| 7646 | | Flipping the peptide bond for 1 residues |
| 7647 | | |
| 7648 | | > isolde pepflip sel |
| 7649 | | |
| 7650 | | Flipping the peptide bond for 1 residues |
| 7651 | | |
| 7652 | | > select clear |
| 7653 | | |
| 7654 | | > select #1/h |
| 7655 | | |
| 7656 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7657 | | |
| 7658 | | > ui tool show "Ramachandran Plot" |
| 7659 | | |
| 7660 | | > select clear |
| 7661 | | |
| 7662 | | > ui tool show "Ramachandran Plot" |
| 7663 | | |
| 7664 | | > select clear |
| 7665 | | |
| 7666 | | > ui tool show "Ramachandran Plot" |
| 7667 | | |
| 7668 | | > select clear |
| 7669 | | |
| 7670 | | > ui tool show "Ramachandran Plot" |
| 7671 | | |
| 7672 | | > isolde pepflip sel |
| 7673 | | |
| 7674 | | Flipping the peptide bond for 1 residues |
| 7675 | | |
| 7676 | | > isolde pepflip sel |
| 7677 | | |
| 7678 | | Flipping the peptide bond for 1 residues |
| 7679 | | |
| 7680 | | > isolde pepflip sel |
| 7681 | | |
| 7682 | | Flipping the peptide bond for 1 residues |
| 7683 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 7684 | | |
| 7685 | | > select clear |
| 7686 | | |
| 7687 | | > ui tool show "Ramachandran Plot" |
| 7688 | | |
| 7689 | | > isolde pepflip sel |
| 7690 | | |
| 7691 | | Flipping the peptide bond for 1 residues |
| 7692 | | |
| 7693 | | > isolde pepflip sel |
| 7694 | | |
| 7695 | | Flipping the peptide bond for 1 residues |
| 7696 | | |
| 7697 | | > select clear |
| 7698 | | |
| 7699 | | > ui tool show "Ramachandran Plot" |
| 7700 | | |
| 7701 | | > isolde pepflip sel |
| 7702 | | |
| 7703 | | Flipping the peptide bond for 1 residues |
| 7704 | | |
| 7705 | | > isolde pepflip sel |
| 7706 | | |
| 7707 | | Flipping the peptide bond for 1 residues |
| 7708 | | |
| 7709 | | > isolde pepflip sel |
| 7710 | | |
| 7711 | | Flipping the peptide bond for 1 residues |
| 7712 | | |
| 7713 | | > isolde pepflip sel |
| 7714 | | |
| 7715 | | Flipping the peptide bond for 1 residues |
| 7716 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 7717 | | |
| 7718 | | > isolde pepflip sel |
| 7719 | | |
| 7720 | | Flipping the peptide bond for 1 residues |
| 7721 | | Traceback (most recent call last): |
| 7722 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7723 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7724 | | func(*args, **kwargs) |
| 7725 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7726 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7727 | | on_resize |
| 7728 | | c.draw() |
| 7729 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7730 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7731 | | self.figure.draw(self.renderer) |
| 7732 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7733 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7734 | | result = draw(artist, renderer, *args, **kwargs) |
| 7735 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7736 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7737 | | return draw(artist, renderer) |
| 7738 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7739 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7740 | | artists = self._get_draw_artists(renderer) |
| 7741 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7742 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7743 | | ax.apply_aspect() |
| 7744 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7745 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7746 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7747 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7748 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7749 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7750 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7751 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 7752 | | |
| 7753 | | > isolde sim pause |
| 7754 | | |
| 7755 | | > isolde sim resume |
| 7756 | | |
| 7757 | | > ui tool show "Ramachandran Plot" |
| 7758 | | |
| 7759 | | Traceback (most recent call last): |
| 7760 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7761 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7762 | | func(*args, **kwargs) |
| 7763 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7764 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7765 | | on_resize |
| 7766 | | c.draw() |
| 7767 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7768 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7769 | | self.figure.draw(self.renderer) |
| 7770 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7771 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7772 | | result = draw(artist, renderer, *args, **kwargs) |
| 7773 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7774 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7775 | | return draw(artist, renderer) |
| 7776 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7777 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7778 | | artists = self._get_draw_artists(renderer) |
| 7779 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7780 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7781 | | ax.apply_aspect() |
| 7782 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7783 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7784 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7785 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7786 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7787 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7788 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7789 | | |
| 7790 | | > select clear |
| 7791 | | |
| 7792 | | > ui tool show "Ramachandran Plot" |
| 7793 | | |
| 7794 | | > select clear |
| 7795 | | |
| 7796 | | > style #1/h:84|/h:125 sphere |
| 7797 | | |
| 7798 | | Changed 39 atom styles |
| 7799 | | |
| 7800 | | > style #1/h:84|/h:125 stick |
| 7801 | | |
| 7802 | | Changed 39 atom styles |
| 7803 | | |
| 7804 | | > ui tool show "Ramachandran Plot" |
| 7805 | | |
| 7806 | | [Repeated 1 time(s)] |
| 7807 | | |
| 7808 | | > isolde sim stop |
| 7809 | | |
| 7810 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 7811 | | chains... |
| 7812 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 7813 | | standards. |
| 7814 | | ISOLDE: stopped sim |
| 7815 | | |
| 7816 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 7817 | | > mut8-no-C-ter/18-KSRP-no-C-ter-Step1-SevententhSubsteps-POST-FIRST-SIM-ANN- |
| 7818 | | > KSRP.cxs |
| 7819 | | |
| 7820 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 7821 | | |
| 7822 | | ——— End of log from Fri Mar 24 14:43:56 2023 ——— |
| 7823 | | |
| 7824 | | opened ChimeraX session |
| 7825 | | |
| 7826 | | > isolde start |
| 7827 | | |
| 7828 | | > set selectionWidth 4 |
| 7829 | | |
| 7830 | | > isolde restrain ligands #1 |
| 7831 | | |
| 7832 | | > select clear |
| 7833 | | |
| 7834 | | > select #1/h |
| 7835 | | |
| 7836 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7837 | | |
| 7838 | | > isolde sim start sel |
| 7839 | | |
| 7840 | | Launching using CUDA failed with the below message. Falling back to using |
| 7841 | | OpenCL. |
| 7842 | | |
| 7843 | | Error compiling program: nvrtc: error: invalid value for --gpu-architecture |
| 7844 | | (-arch) |
| 7845 | | |
| 7846 | | |
| 7847 | | ISOLDE: started sim |
| 7848 | | |
| 7849 | | > isolde sim stop discardTo start |
| 7850 | | |
| 7851 | | reverting to start |
| 7852 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 7853 | | chains... |
| 7854 | | ISOLDE: stopped sim |
| 7855 | | |
| 7856 | | > select #1/h |
| 7857 | | |
| 7858 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7859 | | |
| 7860 | | > isolde sim start sel |
| 7861 | | |
| 7862 | | ISOLDE: started sim |
| 7863 | | |
| 7864 | | > isolde sim stop discardTo start |
| 7865 | | |
| 7866 | | reverting to start |
| 7867 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 7868 | | chains... |
| 7869 | | ISOLDE: stopped sim |
| 7870 | | |
| 7871 | | > select #1/h |
| 7872 | | |
| 7873 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7874 | | |
| 7875 | | > isolde sim start sel |
| 7876 | | |
| 7877 | | ISOLDE: started sim |
| 7878 | | |
| 7879 | | > ui tool show "Ramachandran Plot" |
| 7880 | | |
| 7881 | | > select clear |
| 7882 | | |
| 7883 | | > ui tool show "Ramachandran Plot" |
| 7884 | | |
| 7885 | | [Repeated 2 time(s)] |
| 7886 | | |
| 7887 | | > isolde sim pause |
| 7888 | | |
| 7889 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 7890 | | > mut8-no-C-ter/19a-Test-KSRP-Env-System-on-the-middle-of- |
| 7891 | | > overFittingTo-6Times-densityField.pdb |
| 7892 | | |
| 7893 | | > isolde sim resume |
| 7894 | | |
| 7895 | | > ui tool show "Ramachandran Plot" |
| 7896 | | |
| 7897 | | [Repeated 1 time(s)] |
| 7898 | | |
| 7899 | | > isolde sim pause |
| 7900 | | |
| 7901 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 7902 | | > mut8-no-C-ter/19b-Test-KSRP-Env-System-on-the-overFittingTo-6Times- |
| 7903 | | > densityFieldSmoth-NoSmoth.pdb |
| 7904 | | |
| 7905 | | > isolde sim resume |
| 7906 | | |
| 7907 | | > ui tool show "Ramachandran Plot" |
| 7908 | | |
| 7909 | | [Repeated 4 time(s)] |
| 7910 | | |
| 7911 | | > isolde sim pause |
| 7912 | | |
| 7913 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 7914 | | > mut8-no-C-ter/19c-Test-KSRP-Env-System-After-the-overFittingTo-6Times-And- |
| 7915 | | > ComeBack-to-Default.pdb |
| 7916 | | |
| 7917 | | > isolde sim resume |
| 7918 | | |
| 7919 | | > ui tool show "Ramachandran Plot" |
| 7920 | | |
| 7921 | | [Repeated 3 time(s)] |
| 7922 | | |
| 7923 | | > select clear |
| 7924 | | |
| 7925 | | [Repeated 3 time(s)] |
| 7926 | | |
| 7927 | | > ui tool show "Ramachandran Plot" |
| 7928 | | |
| 7929 | | > isolde pepflip sel |
| 7930 | | |
| 7931 | | Flipping the peptide bond for 1 residues |
| 7932 | | |
| 7933 | | > ui tool show "Ramachandran Plot" |
| 7934 | | |
| 7935 | | > select clear |
| 7936 | | |
| 7937 | | > isolde pepflip sel |
| 7938 | | |
| 7939 | | Flipping the peptide bond for 1 residues |
| 7940 | | |
| 7941 | | > ui tool show "Ramachandran Plot" |
| 7942 | | |
| 7943 | | > select clear |
| 7944 | | |
| 7945 | | > isolde pepflip sel |
| 7946 | | |
| 7947 | | Flipping the peptide bond for 1 residues |
| 7948 | | |
| 7949 | | > ui tool show "Ramachandran Plot" |
| 7950 | | |
| 7951 | | > select clear |
| 7952 | | |
| 7953 | | > isolde pepflip sel |
| 7954 | | |
| 7955 | | Flipping the peptide bond for 1 residues |
| 7956 | | |
| 7957 | | > isolde pepflip sel |
| 7958 | | |
| 7959 | | Flipping the peptide bond for 1 residues |
| 7960 | | |
| 7961 | | > select clear |
| 7962 | | |
| 7963 | | > ui tool show "Ramachandran Plot" |
| 7964 | | |
| 7965 | | [Repeated 3 time(s)] |
| 7966 | | |
| 7967 | | > isolde pepflip sel |
| 7968 | | |
| 7969 | | Flipping the peptide bond for 1 residues |
| 7970 | | |
| 7971 | | > ui tool show "Ramachandran Plot" |
| 7972 | | |
| 7973 | | > select clear |
| 7974 | | |
| 7975 | | > ui tool show "Ramachandran Plot" |
| 7976 | | |
| 7977 | | > select clear |
| 7978 | | |
| 7979 | | > isolde pepflip sel |
| 7980 | | |
| 7981 | | Flipping the peptide bond for 1 residues |
| 7982 | | |
| 7983 | | > select clear |
| 7984 | | |
| 7985 | | > isolde pepflip sel |
| 7986 | | |
| 7987 | | Flipping the peptide bond for 1 residues |
| 7988 | | |
| 7989 | | > ui tool show "Ramachandran Plot" |
| 7990 | | |
| 7991 | | > select clear |
| 7992 | | |
| 7993 | | [Repeated 1 time(s)] |
| 7994 | | |
| 7995 | | > ui tool show "Ramachandran Plot" |
| 7996 | | |
| 7997 | | > isolde pepflip sel |
| 7998 | | |
| 7999 | | Flipping the peptide bond for 1 residues |
| 8000 | | |
| 8001 | | > isolde pepflip sel |
| 8002 | | |
| 8003 | | Flipping the peptide bond for 1 residues |
| 8004 | | |
| 8005 | | > select clear |
| 8006 | | |
| 8007 | | > ui tool show "Ramachandran Plot" |
| 8008 | | |
| 8009 | | [Repeated 1 time(s)] |
| 8010 | | |
| 8011 | | > select clear |
| 8012 | | |
| 8013 | | > ui tool show "Ramachandran Plot" |
| 8014 | | |
| 8015 | | > select clear |
| 8016 | | |
| 8017 | | > isolde pepflip sel |
| 8018 | | |
| 8019 | | Flipping the peptide bond for 1 residues |
| 8020 | | |
| 8021 | | > select clear |
| 8022 | | |
| 8023 | | > ui tool show "Ramachandran Plot" |
| 8024 | | |
| 8025 | | [Repeated 1 time(s)] |
| 8026 | | |
| 8027 | | > isolde pepflip sel |
| 8028 | | |
| 8029 | | Flipping the peptide bond for 1 residues |
| 8030 | | |
| 8031 | | > select clear |
| 8032 | | |
| 8033 | | > ui tool show "Ramachandran Plot" |
| 8034 | | |
| 8035 | | > select clear |
| 8036 | | |
| 8037 | | [Repeated 3 time(s)] |
| 8038 | | |
| 8039 | | > isolde pepflip sel |
| 8040 | | |
| 8041 | | Flipping the peptide bond for 1 residues |
| 8042 | | |
| 8043 | | > isolde pepflip sel |
| 8044 | | |
| 8045 | | Flipping the peptide bond for 1 residues |
| 8046 | | |
| 8047 | | > ui tool show "Ramachandran Plot" |
| 8048 | | |
| 8049 | | [Repeated 1 time(s)] |
| 8050 | | |
| 8051 | | > isolde pepflip sel |
| 8052 | | |
| 8053 | | Flipping the peptide bond for 1 residues |
| 8054 | | |
| 8055 | | > select clear |
| 8056 | | |
| 8057 | | > ui tool show "Ramachandran Plot" |
| 8058 | | |
| 8059 | | [Repeated 2 time(s)] |
| 8060 | | |
| 8061 | | > select clear |
| 8062 | | |
| 8063 | | > ui tool show "Ramachandran Plot" |
| 8064 | | |
| 8065 | | [Repeated 1 time(s)] |
| 8066 | | |
| 8067 | | > isolde pepflip sel |
| 8068 | | |
| 8069 | | Flipping the peptide bond for 1 residues |
| 8070 | | |
| 8071 | | > select clear |
| 8072 | | |
| 8073 | | [Repeated 1 time(s)] |
| 8074 | | |
| 8075 | | > isolde pepflip sel |
| 8076 | | |
| 8077 | | Flipping the peptide bond for 1 residues |
| 8078 | | |
| 8079 | | > select clear |
| 8080 | | |
| 8081 | | > isolde pepflip sel |
| 8082 | | |
| 8083 | | Flipping the peptide bond for 1 residues |
| 8084 | | |
| 8085 | | > ui tool show "Ramachandran Plot" |
| 8086 | | |
| 8087 | | [Repeated 1 time(s)]Traceback (most recent call last): |
| 8088 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8089 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 8090 | | func(*args, **kwargs) |
| 8091 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 8092 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 8093 | | on_resize |
| 8094 | | c.draw() |
| 8095 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8096 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 8097 | | self.figure.draw(self.renderer) |
| 8098 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8099 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 8100 | | result = draw(artist, renderer, *args, **kwargs) |
| 8101 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8102 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 8103 | | return draw(artist, renderer) |
| 8104 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8105 | | packages/matplotlib/figure.py", line 2796, in draw |
| 8106 | | artists = self._get_draw_artists(renderer) |
| 8107 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8108 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 8109 | | ax.apply_aspect() |
| 8110 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8111 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 8112 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 8113 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8114 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 8115 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 8116 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 8117 | | |
| 8118 | | > select clear |
| 8119 | | |
| 8120 | | [Repeated 2 time(s)] |
| 8121 | | |
| 8122 | | > ui tool show "Ramachandran Plot" |
| 8123 | | |
| 8124 | | [Repeated 2 time(s)] |
| 8125 | | |
| 8126 | | > select clear |
| 8127 | | |
| 8128 | | > ui tool show "Ramachandran Plot" |
| 8129 | | |
| 8130 | | > select clear |
| 8131 | | |
| 8132 | | [Repeated 1 time(s)] |
| 8133 | | |
| 8134 | | > ui tool show "Ramachandran Plot" |
| 8135 | | |
| 8136 | | > select clear |
| 8137 | | |
| 8138 | | > ui tool show "Ramachandran Plot" |
| 8139 | | |
| 8140 | | > isolde sim stop |
| 8141 | | |
| 8142 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8143 | | chains... |
| 8144 | | ISOLDE: Corrected atom nomenclature of 4 residues in model #1.2 to IUPAC-IUB |
| 8145 | | standards. |
| 8146 | | ISOLDE: stopped sim |
| 8147 | | |
| 8148 | | > ui tool show "Ramachandran Plot" |
| 8149 | | |
| 8150 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8151 | | > mut8-no-C-ter/20-KSRP-no-C-ter-Step1-After-OverFitting_Yes-not_Refining- |
| 8152 | | > KSRP.pdb |
| 8153 | | |
| 8154 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8155 | | > mut8-no-C-ter/20-KSRP-no-C-ter-Step1-After-OverFitting_Yes-not_Refining- |
| 8156 | | > KSRP.cxs |
| 8157 | | |
| 8158 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 8159 | | |
| 8160 | | ——— End of log from Mon Mar 27 09:38:45 2023 ——— |
| 8161 | | |
| 8162 | | opened ChimeraX session |
| 8163 | | |
| 8164 | | > isolde start |
| 8165 | | |
| 8166 | | > ui tool show "Ramachandran Plot" |
| 8167 | | |
| 8168 | | > view #1/P:240-249 |
| 8169 | | |
| 8170 | | > select #1/P:240-249 |
| 8171 | | |
| 8172 | | 168 atoms, 168 bonds, 10 residues, 1 model selected |
| 8173 | | |
| 8174 | | > isolde sim start sel |
| 8175 | | |
| 8176 | | ISOLDE: started sim |
| 8177 | | |
| 8178 | | > isolde sim stop discardTo start |
| 8179 | | |
| 8180 | | reverting to start |
| 8181 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8182 | | chains... |
| 8183 | | ISOLDE: stopped sim |
| 8184 | | |
| 8185 | | > select #1/P:240-249 |
| 8186 | | |
| 8187 | | 168 atoms, 168 bonds, 10 residues, 1 model selected |
| 8188 | | |
| 8189 | | > isolde sim start sel |
| 8190 | | |
| 8191 | | ISOLDE: started sim |
| 8192 | | |
| 8193 | | > isolde sim stop discardTo start |
| 8194 | | |
| 8195 | | reverting to start |
| 8196 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8197 | | chains... |
| 8198 | | ISOLDE: stopped sim |
| 8199 | | |
| 8200 | | > select #1/P:240-249 |
| 8201 | | |
| 8202 | | 168 atoms, 168 bonds, 10 residues, 1 model selected |
| 8203 | | |
| 8204 | | > isolde sim start sel |
| 8205 | | |
| 8206 | | ISOLDE: started sim |
| 8207 | | |
| 8208 | | > isolde sim stop discardTo start |
| 8209 | | |
| 8210 | | reverting to start |
| 8211 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8212 | | chains... |
| 8213 | | ISOLDE: stopped sim |
| 8214 | | |
| 8215 | | > ui tool show "Ramachandran Plot" |
| 8216 | | |
| 8217 | | > select clear |
| 8218 | | |
| 8219 | | > isolde sim start sel |
| 8220 | | |
| 8221 | | ISOLDE: started sim |
| 8222 | | |
| 8223 | | > isolde sim stop discardTo start |
| 8224 | | |
| 8225 | | reverting to start |
| 8226 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8227 | | chains... |
| 8228 | | ISOLDE: stopped sim |
| 8229 | | |
| 8230 | | > select #1/V:92 |
| 8231 | | |
| 8232 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 8233 | | |
| 8234 | | > isolde sim start sel |
| 8235 | | |
| 8236 | | ISOLDE: started sim |
| 8237 | | |
| 8238 | | > isolde pepflip sel |
| 8239 | | |
| 8240 | | Flipping the peptide bond for 1 residues |
| 8241 | | |
| 8242 | | > select clear |
| 8243 | | |
| 8244 | | > isolde pepflip sel |
| 8245 | | |
| 8246 | | Flipping the peptide bond for 1 residues |
| 8247 | | |
| 8248 | | > select clear |
| 8249 | | |
| 8250 | | > ui tool show "Ramachandran Plot" |
| 8251 | | |
| 8252 | | [Repeated 1 time(s)] |
| 8253 | | |
| 8254 | | > isolde sim stop |
| 8255 | | |
| 8256 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8257 | | chains... |
| 8258 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 8259 | | standards. |
| 8260 | | ISOLDE: stopped sim |
| 8261 | | |
| 8262 | | > isolde sim start sel |
| 8263 | | |
| 8264 | | ISOLDE: started sim |
| 8265 | | |
| 8266 | | > ui tool show "Ramachandran Plot" |
| 8267 | | |
| 8268 | | > isolde pepflip sel |
| 8269 | | |
| 8270 | | Flipping the peptide bond for 1 residues |
| 8271 | | |
| 8272 | | > select clear |
| 8273 | | |
| 8274 | | > ui tool show "Ramachandran Plot" |
| 8275 | | |
| 8276 | | > isolde sim stop |
| 8277 | | |
| 8278 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8279 | | chains... |
| 8280 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 8281 | | standards. |
| 8282 | | ISOLDE: stopped sim |
| 8283 | | |
| 8284 | | > isolde sim start sel |
| 8285 | | |
| 8286 | | ISOLDE: started sim |
| 8287 | | |
| 8288 | | > select clear |
| 8289 | | |
| 8290 | | > isolde pepflip sel |
| 8291 | | |
| 8292 | | Flipping the peptide bond for 1 residues |
| 8293 | | |
| 8294 | | > ui tool show "Ramachandran Plot" |
| 8295 | | |
| 8296 | | [Repeated 1 time(s)] |
| 8297 | | |
| 8298 | | > isolde sim stop |
| 8299 | | |
| 8300 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8301 | | chains... |
| 8302 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 8303 | | standards. |
| 8304 | | ISOLDE: stopped sim |
| 8305 | | |
| 8306 | | > view #1/V:92 |
| 8307 | | |
| 8308 | | > select #1/V:92 |
| 8309 | | |
| 8310 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 8311 | | |
| 8312 | | > isolde sim start sel |
| 8313 | | |
| 8314 | | ISOLDE: started sim |
| 8315 | | |
| 8316 | | > ui tool show "Ramachandran Plot" |
| 8317 | | |
| 8318 | | > isolde pepflip sel |
| 8319 | | |
| 8320 | | Flipping the peptide bond for 1 residues |
| 8321 | | |
| 8322 | | > isolde pepflip sel |
| 8323 | | |
| 8324 | | Flipping the peptide bond for 1 residues |
| 8325 | | |
| 8326 | | > select clear |
| 8327 | | |
| 8328 | | > isolde pepflip sel |
| 8329 | | |
| 8330 | | Flipping the peptide bond for 1 residues |
| 8331 | | |
| 8332 | | > select clear |
| 8333 | | |
| 8334 | | > ui tool show "Ramachandran Plot" |
| 8335 | | |
| 8336 | | > isolde sim stop |
| 8337 | | |
| 8338 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8339 | | chains... |
| 8340 | | ISOLDE: stopped sim |
| 8341 | | |
| 8342 | | > ui tool show "Ramachandran Plot" |
| 8343 | | |
| 8344 | | > isolde sim start sel |
| 8345 | | |
| 8346 | | ISOLDE: started sim |
| 8347 | | |
| 8348 | | > ui tool show "Ramachandran Plot" |
| 8349 | | |
| 8350 | | > select clear |
| 8351 | | |
| 8352 | | > ui tool show "Ramachandran Plot" |
| 8353 | | |
| 8354 | | > isolde pepflip sel |
| 8355 | | |
| 8356 | | Flipping the peptide bond for 1 residues |
| 8357 | | |
| 8358 | | > select clear |
| 8359 | | |
| 8360 | | > isolde pepflip sel |
| 8361 | | |
| 8362 | | Flipping the peptide bond for 1 residues |
| 8363 | | |
| 8364 | | > isolde pepflip sel |
| 8365 | | |
| 8366 | | Flipping the peptide bond for 1 residues |
| 8367 | | |
| 8368 | | > ui tool show "Ramachandran Plot" |
| 8369 | | |
| 8370 | | > select clear |
| 8371 | | |
| 8372 | | [Repeated 1 time(s)] |
| 8373 | | |
| 8374 | | > isolde pepflip sel |
| 8375 | | |
| 8376 | | Flipping the peptide bond for 1 residues |
| 8377 | | |
| 8378 | | > isolde pepflip sel |
| 8379 | | |
| 8380 | | Flipping the peptide bond for 1 residues |
| 8381 | | |
| 8382 | | > select clear |
| 8383 | | |
| 8384 | | > ui tool show "Ramachandran Plot" |
| 8385 | | |
| 8386 | | > isolde pepflip sel |
| 8387 | | |
| 8388 | | Flipping the peptide bond for 1 residues |
| 8389 | | |
| 8390 | | > select clear |
| 8391 | | |
| 8392 | | [Repeated 1 time(s)] |
| 8393 | | |
| 8394 | | > ui tool show "Ramachandran Plot" |
| 8395 | | |
| 8396 | | > style #1/i:72|/i:75 sphere |
| 8397 | | |
| 8398 | | Changed 37 atom styles |
| 8399 | | |
| 8400 | | > style #1/i:72|/i:75 stick |
| 8401 | | |
| 8402 | | Changed 37 atom styles |
| 8403 | | |
| 8404 | | > select clear |
| 8405 | | |
| 8406 | | [Repeated 1 time(s)] |
| 8407 | | |
| 8408 | | > ui tool show "Ramachandran Plot" |
| 8409 | | |
| 8410 | | > isolde sim stop |
| 8411 | | |
| 8412 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8413 | | chains... |
| 8414 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 8415 | | standards. |
| 8416 | | ISOLDE: stopped sim |
| 8417 | | |
| 8418 | | > ui tool show "Ramachandran Plot" |
| 8419 | | |
| 8420 | | > isolde sim start sel |
| 8421 | | |
| 8422 | | ISOLDE: started sim |
| 8423 | | |
| 8424 | | > isolde pepflip sel |
| 8425 | | |
| 8426 | | Flipping the peptide bond for 1 residues |
| 8427 | | |
| 8428 | | > select clear |
| 8429 | | |
| 8430 | | [Repeated 3 time(s)] |
| 8431 | | |
| 8432 | | > isolde pepflip sel |
| 8433 | | |
| 8434 | | Flipping the peptide bond for 1 residues |
| 8435 | | |
| 8436 | | > isolde pepflip sel |
| 8437 | | |
| 8438 | | Flipping the peptide bond for 1 residues |
| 8439 | | |
| 8440 | | > isolde pepflip sel |
| 8441 | | |
| 8442 | | Flipping the peptide bond for 1 residues |
| 8443 | | |
| 8444 | | > select clear |
| 8445 | | |
| 8446 | | [Repeated 1 time(s)] |
| 8447 | | |
| 8448 | | > isolde pepflip sel |
| 8449 | | |
| 8450 | | Flipping the peptide bond for 1 residues |
| 8451 | | |
| 8452 | | > isolde pepflip sel |
| 8453 | | |
| 8454 | | Flipping the peptide bond for 1 residues |
| 8455 | | |
| 8456 | | > isolde pepflip sel |
| 8457 | | |
| 8458 | | Flipping the peptide bond for 1 residues |
| 8459 | | |
| 8460 | | > isolde pepflip sel |
| 8461 | | |
| 8462 | | Flipping the peptide bond for 1 residues |
| 8463 | | |
| 8464 | | > isolde pepflip sel |
| 8465 | | |
| 8466 | | Flipping the peptide bond for 1 residues |
| 8467 | | |
| 8468 | | > isolde pepflip sel |
| 8469 | | |
| 8470 | | Flipping the peptide bond for 1 residues |
| 8471 | | |
| 8472 | | > select clear |
| 8473 | | |
| 8474 | | [Repeated 1 time(s)] |
| 8475 | | |
| 8476 | | > ui tool show "Ramachandran Plot" |
| 8477 | | |
| 8478 | | > select clear |
| 8479 | | |
| 8480 | | [Repeated 1 time(s)] |
| 8481 | | |
| 8482 | | > ui tool show "Ramachandran Plot" |
| 8483 | | |
| 8484 | | [Repeated 1 time(s)] |
| 8485 | | |
| 8486 | | > isolde sim stop |
| 8487 | | |
| 8488 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8489 | | chains... |
| 8490 | | ISOLDE: stopped sim |
| 8491 | | |
| 8492 | | > ui tool show "Ramachandran Plot" |
| 8493 | | |
| 8494 | | > isolde sim start sel |
| 8495 | | |
| 8496 | | ISOLDE: started sim |
| 8497 | | |
| 8498 | | > isolde pepflip sel |
| 8499 | | |
| 8500 | | Flipping the peptide bond for 1 residues |
| 8501 | | |
| 8502 | | > isolde pepflip sel |
| 8503 | | |
| 8504 | | Flipping the peptide bond for 1 residues |
| 8505 | | |
| 8506 | | > isolde pepflip sel |
| 8507 | | |
| 8508 | | Flipping the peptide bond for 1 residues |
| 8509 | | |
| 8510 | | > select clear |
| 8511 | | |
| 8512 | | > ui tool show "Ramachandran Plot" |
| 8513 | | |
| 8514 | | > isolde pepflip sel |
| 8515 | | |
| 8516 | | Flipping the peptide bond for 1 residues |
| 8517 | | |
| 8518 | | > select clear |
| 8519 | | |
| 8520 | | > ui tool show "Ramachandran Plot" |
| 8521 | | |
| 8522 | | [Repeated 1 time(s)] |
| 8523 | | |
| 8524 | | > isolde sim stop |
| 8525 | | |
| 8526 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8527 | | chains... |
| 8528 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 8529 | | standards. |
| 8530 | | ISOLDE: stopped sim |
| 8531 | | |
| 8532 | | > ui tool show "Ramachandran Plot" |
| 8533 | | |
| 8534 | | [Repeated 1 time(s)] |
| 8535 | | |
| 8536 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8537 | | > mut8-no-C-ter/20-continuingNew-FirstSteps-RefiningBEFORE-Annealing.cxs |
| 8538 | | |
| 8539 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 8540 | | |
| 8541 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8542 | | > mut8-no-C-ter/20-KSRP-no-C-ter-Step1-After-OverFitting_Yes-not_Refining- |
| 8543 | | > KSRP.pdb |
| 8544 | | |
| 8545 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8546 | | > mut8-no-C-ter/20-continuingNew-FirstSteps-RefiningBEFORE-Annealing.pdb |
| 8547 | | |
| 8548 | | > isolde sim start sel |
| 8549 | | |
| 8550 | | ISOLDE: started sim |
| 8551 | | |
| 8552 | | > isolde sim stop discardTo start |
| 8553 | | |
| 8554 | | reverting to start |
| 8555 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8556 | | chains... |
| 8557 | | ISOLDE: stopped sim |
| 8558 | | |
| 8559 | | > isolde sim start sel |
| 8560 | | |
| 8561 | | ISOLDE: started sim |
| 8562 | | |
| 8563 | | > isolde pepflip sel |
| 8564 | | |
| 8565 | | Flipping the peptide bond for 1 residues |
| 8566 | | |
| 8567 | | > isolde pepflip sel |
| 8568 | | |
| 8569 | | Flipping the peptide bond for 1 residues |
| 8570 | | |
| 8571 | | > select clear |
| 8572 | | |
| 8573 | | > ui tool show "Ramachandran Plot" |
| 8574 | | |
| 8575 | | [Repeated 1 time(s)] |
| 8576 | | |
| 8577 | | > isolde sim pause |
| 8578 | | |
| 8579 | | > ui tool show "Ramachandran Plot" |
| 8580 | | |
| 8581 | | > isolde sim resume |
| 8582 | | |
| 8583 | | > ui tool show "Ramachandran Plot" |
| 8584 | | |
| 8585 | | > isolde pepflip sel |
| 8586 | | |
| 8587 | | Flipping the peptide bond for 1 residues |
| 8588 | | |
| 8589 | | > isolde pepflip sel |
| 8590 | | |
| 8591 | | Flipping the peptide bond for 1 residues |
| 8592 | | |
| 8593 | | > select clear |
| 8594 | | |
| 8595 | | > isolde pepflip sel |
| 8596 | | |
| 8597 | | Flipping the peptide bond for 1 residues |
| 8598 | | |
| 8599 | | > isolde pepflip sel |
| 8600 | | |
| 8601 | | Flipping the peptide bond for 1 residues |
| 8602 | | |
| 8603 | | > isolde sim stop |
| 8604 | | |
| 8605 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8606 | | chains... |
| 8607 | | ISOLDE: stopped sim |
| 8608 | | |
| 8609 | | > isolde sim start sel |
| 8610 | | |
| 8611 | | ISOLDE: started sim |
| 8612 | | |
| 8613 | | > select clear |
| 8614 | | |
| 8615 | | > ui tool show "Ramachandran Plot" |
| 8616 | | |
| 8617 | | [Repeated 2 time(s)] |
| 8618 | | |
| 8619 | | > isolde pepflip sel |
| 8620 | | |
| 8621 | | Flipping the peptide bond for 1 residues |
| 8622 | | |
| 8623 | | > ui tool show "Ramachandran Plot" |
| 8624 | | |
| 8625 | | [Repeated 1 time(s)] |
| 8626 | | |
| 8627 | | > select clear |
| 8628 | | |
| 8629 | | > ui tool show "Ramachandran Plot" |
| 8630 | | |
| 8631 | | > isolde sim stop |
| 8632 | | |
| 8633 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8634 | | chains... |
| 8635 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 8636 | | standards. |
| 8637 | | ISOLDE: stopped sim |
| 8638 | | |
| 8639 | | > isolde sim start sel |
| 8640 | | |
| 8641 | | ISOLDE: started sim |
| 8642 | | |
| 8643 | | > ui tool show "Ramachandran Plot" |
| 8644 | | |
| 8645 | | > select clear |
| 8646 | | |
| 8647 | | > ui tool show "Ramachandran Plot" |
| 8648 | | |
| 8649 | | > select clear |
| 8650 | | |
| 8651 | | > ui tool show "Ramachandran Plot" |
| 8652 | | |
| 8653 | | > select clear |
| 8654 | | |
| 8655 | | > ui tool show "Ramachandran Plot" |
| 8656 | | |
| 8657 | | [Repeated 1 time(s)] |
| 8658 | | |
| 8659 | | > isolde sim stop |
| 8660 | | |
| 8661 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8662 | | chains... |
| 8663 | | ISOLDE: stopped sim |
| 8664 | | |
| 8665 | | > ui tool show "Ramachandran Plot" |
| 8666 | | |
| 8667 | | > isolde sim start sel |
| 8668 | | |
| 8669 | | ISOLDE: started sim |
| 8670 | | |
| 8671 | | > ui tool show "Ramachandran Plot" |
| 8672 | | |
| 8673 | | > select clear |
| 8674 | | |
| 8675 | | [Repeated 1 time(s)] |
| 8676 | | |
| 8677 | | > isolde pepflip sel |
| 8678 | | |
| 8679 | | Flipping the peptide bond for 1 residues |
| 8680 | | |
| 8681 | | > select clear |
| 8682 | | |
| 8683 | | > ui tool show "Ramachandran Plot" |
| 8684 | | |
| 8685 | | > isolde sim stop |
| 8686 | | |
| 8687 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8688 | | chains... |
| 8689 | | ISOLDE: stopped sim |
| 8690 | | |
| 8691 | | > ui tool show "Ramachandran Plot" |
| 8692 | | |
| 8693 | | > isolde sim start sel |
| 8694 | | |
| 8695 | | ISOLDE: started sim |
| 8696 | | |
| 8697 | | > ui tool show "Ramachandran Plot" |
| 8698 | | |
| 8699 | | [Repeated 1 time(s)] |
| 8700 | | |
| 8701 | | > isolde sim stop |
| 8702 | | |
| 8703 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8704 | | chains... |
| 8705 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 8706 | | standards. |
| 8707 | | ISOLDE: stopped sim |
| 8708 | | |
| 8709 | | > isolde sim start sel |
| 8710 | | |
| 8711 | | ISOLDE: started sim |
| 8712 | | |
| 8713 | | > select clear |
| 8714 | | |
| 8715 | | [Repeated 2 time(s)] |
| 8716 | | |
| 8717 | | > isolde pepflip sel |
| 8718 | | |
| 8719 | | Flipping the peptide bond for 1 residues |
| 8720 | | |
| 8721 | | > isolde pepflip sel |
| 8722 | | |
| 8723 | | Flipping the peptide bond for 1 residues |
| 8724 | | |
| 8725 | | > isolde pepflip sel |
| 8726 | | |
| 8727 | | Flipping the peptide bond for 1 residues |
| 8728 | | |
| 8729 | | > isolde pepflip sel |
| 8730 | | |
| 8731 | | Flipping the peptide bond for 1 residues |
| 8732 | | |
| 8733 | | > ui tool show "Ramachandran Plot" |
| 8734 | | |
| 8735 | | > isolde pepflip sel |
| 8736 | | |
| 8737 | | Flipping the peptide bond for 1 residues |
| 8738 | | |
| 8739 | | > select clear |
| 8740 | | |
| 8741 | | > isolde pepflip sel |
| 8742 | | |
| 8743 | | Flipping the peptide bond for 1 residues |
| 8744 | | |
| 8745 | | > isolde pepflip sel |
| 8746 | | |
| 8747 | | Flipping the peptide bond for 1 residues |
| 8748 | | |
| 8749 | | > select clear |
| 8750 | | |
| 8751 | | [Repeated 1 time(s)] |
| 8752 | | |
| 8753 | | > isolde pepflip sel |
| 8754 | | |
| 8755 | | Flipping the peptide bond for 1 residues |
| 8756 | | |
| 8757 | | > ui tool show "Ramachandran Plot" |
| 8758 | | |
| 8759 | | > select clear |
| 8760 | | |
| 8761 | | > ui tool show "Ramachandran Plot" |
| 8762 | | |
| 8763 | | [Repeated 1 time(s)] |
| 8764 | | |
| 8765 | | > isolde sim stop |
| 8766 | | |
| 8767 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8768 | | chains... |
| 8769 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 8770 | | standards. |
| 8771 | | ISOLDE: stopped sim |
| 8772 | | |
| 8773 | | > ui tool show "Ramachandran Plot" |
| 8774 | | |
| 8775 | | > isolde sim start sel |
| 8776 | | |
| 8777 | | ISOLDE: started sim |
| 8778 | | |
| 8779 | | > ui tool show "Ramachandran Plot" |
| 8780 | | |
| 8781 | | > select clear |
| 8782 | | |
| 8783 | | > isolde sim stop |
| 8784 | | |
| 8785 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8786 | | chains... |
| 8787 | | ISOLDE: stopped sim |
| 8788 | | |
| 8789 | | > ui tool show "Ramachandran Plot" |
| 8790 | | |
| 8791 | | > isolde sim start sel |
| 8792 | | |
| 8793 | | ISOLDE: started sim |
| 8794 | | |
| 8795 | | > isolde pepflip sel |
| 8796 | | |
| 8797 | | Flipping the peptide bond for 1 residues |
| 8798 | | |
| 8799 | | > select clear |
| 8800 | | |
| 8801 | | > isolde pepflip sel |
| 8802 | | |
| 8803 | | Flipping the peptide bond for 1 residues |
| 8804 | | |
| 8805 | | > select clear |
| 8806 | | |
| 8807 | | > isolde pepflip sel |
| 8808 | | |
| 8809 | | Flipping the peptide bond for 1 residues |
| 8810 | | |
| 8811 | | > isolde pepflip sel |
| 8812 | | |
| 8813 | | Flipping the peptide bond for 1 residues |
| 8814 | | |
| 8815 | | > select clear |
| 8816 | | |
| 8817 | | > ui tool show "Ramachandran Plot" |
| 8818 | | |
| 8819 | | > select clear |
| 8820 | | |
| 8821 | | [Repeated 2 time(s)] |
| 8822 | | |
| 8823 | | > ui tool show "Ramachandran Plot" |
| 8824 | | |
| 8825 | | > isolde pepflip sel |
| 8826 | | |
| 8827 | | Flipping the peptide bond for 1 residues |
| 8828 | | |
| 8829 | | > isolde pepflip sel |
| 8830 | | |
| 8831 | | Flipping the peptide bond for 1 residues |
| 8832 | | |
| 8833 | | > ui tool show "Ramachandran Plot" |
| 8834 | | |
| 8835 | | > select clear |
| 8836 | | |
| 8837 | | > isolde sim stop |
| 8838 | | |
| 8839 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8840 | | chains... |
| 8841 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 8842 | | standards. |
| 8843 | | ISOLDE: stopped sim |
| 8844 | | |
| 8845 | | > ui tool show "Ramachandran Plot" |
| 8846 | | |
| 8847 | | [Repeated 1 time(s)] |
| 8848 | | |
| 8849 | | > isolde sim start sel |
| 8850 | | |
| 8851 | | ISOLDE: started sim |
| 8852 | | |
| 8853 | | > select clear |
| 8854 | | |
| 8855 | | > ui tool show "Ramachandran Plot" |
| 8856 | | |
| 8857 | | [Repeated 1 time(s)] |
| 8858 | | |
| 8859 | | > view #1/d:155 |
| 8860 | | |
| 8861 | | > select clear |
| 8862 | | |
| 8863 | | > isolde sim stop |
| 8864 | | |
| 8865 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8866 | | chains... |
| 8867 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 8868 | | standards. |
| 8869 | | ISOLDE: stopped sim |
| 8870 | | |
| 8871 | | > ui tool show "Ramachandran Plot" |
| 8872 | | |
| 8873 | | > isolde sim start sel |
| 8874 | | |
| 8875 | | ISOLDE: started sim |
| 8876 | | |
| 8877 | | > isolde pepflip sel |
| 8878 | | |
| 8879 | | Flipping the peptide bond for 1 residues |
| 8880 | | |
| 8881 | | > ui tool show "Ramachandran Plot" |
| 8882 | | |
| 8883 | | > select clear |
| 8884 | | |
| 8885 | | > isolde sim pause |
| 8886 | | |
| 8887 | | > isolde sim resume |
| 8888 | | |
| 8889 | | > ui tool show "Ramachandran Plot" |
| 8890 | | |
| 8891 | | > isolde sim stop |
| 8892 | | |
| 8893 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8894 | | chains... |
| 8895 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 8896 | | standards. |
| 8897 | | ISOLDE: stopped sim |
| 8898 | | |
| 8899 | | > ui tool show "Ramachandran Plot" |
| 8900 | | |
| 8901 | | > isolde sim start sel |
| 8902 | | |
| 8903 | | ISOLDE: started sim |
| 8904 | | |
| 8905 | | > isolde pepflip sel |
| 8906 | | |
| 8907 | | Flipping the peptide bond for 1 residues |
| 8908 | | |
| 8909 | | > isolde pepflip sel |
| 8910 | | |
| 8911 | | Flipping the peptide bond for 1 residues |
| 8912 | | |
| 8913 | | > isolde pepflip sel |
| 8914 | | |
| 8915 | | Flipping the peptide bond for 1 residues |
| 8916 | | |
| 8917 | | > isolde pepflip sel |
| 8918 | | |
| 8919 | | Flipping the peptide bond for 1 residues |
| 8920 | | |
| 8921 | | > isolde pepflip sel |
| 8922 | | |
| 8923 | | Flipping the peptide bond for 1 residues |
| 8924 | | |
| 8925 | | > select clear |
| 8926 | | |
| 8927 | | > isolde pepflip sel |
| 8928 | | |
| 8929 | | Flipping the peptide bond for 1 residues |
| 8930 | | |
| 8931 | | > isolde pepflip sel |
| 8932 | | |
| 8933 | | Flipping the peptide bond for 1 residues |
| 8934 | | |
| 8935 | | > isolde pepflip sel |
| 8936 | | |
| 8937 | | Flipping the peptide bond for 1 residues |
| 8938 | | |
| 8939 | | > isolde pepflip sel |
| 8940 | | |
| 8941 | | Flipping the peptide bond for 1 residues |
| 8942 | | |
| 8943 | | > select clear |
| 8944 | | |
| 8945 | | > ui tool show "Ramachandran Plot" |
| 8946 | | |
| 8947 | | > isolde sim pause |
| 8948 | | |
| 8949 | | > isolde sim resume |
| 8950 | | |
| 8951 | | > ui tool show "Ramachandran Plot" |
| 8952 | | |
| 8953 | | > isolde sim stop |
| 8954 | | |
| 8955 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8956 | | chains... |
| 8957 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 8958 | | standards. |
| 8959 | | ISOLDE: stopped sim |
| 8960 | | |
| 8961 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8962 | | > mut8-no-C-ter/20-1-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 8963 | | > step20-1.cxs |
| 8964 | | |
| 8965 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 8966 | | |
| 8967 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8968 | | > mut8-no-C-ter/20-1-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 8969 | | > step20-1.pdb |
| 8970 | | |
| 8971 | | > ui tool show "Ramachandran Plot" |
| 8972 | | |
| 8973 | | > isolde sim start sel |
| 8974 | | |
| 8975 | | ISOLDE: started sim |
| 8976 | | |
| 8977 | | > select clear |
| 8978 | | |
| 8979 | | > ui tool show "Ramachandran Plot" |
| 8980 | | |
| 8981 | | > select clear |
| 8982 | | |
| 8983 | | > isolde sim stop |
| 8984 | | |
| 8985 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8986 | | chains... |
| 8987 | | ISOLDE: stopped sim |
| 8988 | | |
| 8989 | | > ui tool show "Ramachandran Plot" |
| 8990 | | |
| 8991 | | > isolde sim start sel |
| 8992 | | |
| 8993 | | ISOLDE: started sim |
| 8994 | | |
| 8995 | | > ui tool show "Ramachandran Plot" |
| 8996 | | |
| 8997 | | > select clear |
| 8998 | | |
| 8999 | | > ui tool show "Ramachandran Plot" |
| 9000 | | |
| 9001 | | > isolde pepflip sel |
| 9002 | | |
| 9003 | | Flipping the peptide bond for 1 residues |
| 9004 | | |
| 9005 | | > select clear |
| 9006 | | |
| 9007 | | > isolde pepflip sel |
| 9008 | | |
| 9009 | | Flipping the peptide bond for 1 residues |
| 9010 | | |
| 9011 | | > select clear |
| 9012 | | |
| 9013 | | > ui tool show "Ramachandran Plot" |
| 9014 | | |
| 9015 | | > select clear |
| 9016 | | |
| 9017 | | [Repeated 1 time(s)] |
| 9018 | | |
| 9019 | | > view #1/q:29 |
| 9020 | | |
| 9021 | | > isolde sim pause |
| 9022 | | |
| 9023 | | > ui tool show "Ramachandran Plot" |
| 9024 | | |
| 9025 | | Traceback (most recent call last): |
| 9026 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9027 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 9028 | | func(*args, **kwargs) |
| 9029 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 9030 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 9031 | | on_resize |
| 9032 | | c.draw() |
| 9033 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9034 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 9035 | | self.figure.draw(self.renderer) |
| 9036 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9037 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 9038 | | result = draw(artist, renderer, *args, **kwargs) |
| 9039 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9040 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 9041 | | return draw(artist, renderer) |
| 9042 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9043 | | packages/matplotlib/figure.py", line 2796, in draw |
| 9044 | | artists = self._get_draw_artists(renderer) |
| 9045 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9046 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 9047 | | ax.apply_aspect() |
| 9048 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9049 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 9050 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 9051 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9052 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 9053 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 9054 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 9055 | | |
| 9056 | | > ui tool show "Ramachandran Plot" |
| 9057 | | |
| 9058 | | [Repeated 1 time(s)]Traceback (most recent call last): |
| 9059 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9060 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 9061 | | func(*args, **kwargs) |
| 9062 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 9063 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 9064 | | on_resize |
| 9065 | | c.draw() |
| 9066 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9067 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 9068 | | self.figure.draw(self.renderer) |
| 9069 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9070 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 9071 | | result = draw(artist, renderer, *args, **kwargs) |
| 9072 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9073 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 9074 | | return draw(artist, renderer) |
| 9075 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9076 | | packages/matplotlib/figure.py", line 2796, in draw |
| 9077 | | artists = self._get_draw_artists(renderer) |
| 9078 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9079 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 9080 | | ax.apply_aspect() |
| 9081 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9082 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 9083 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 9084 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9085 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 9086 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 9087 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 9088 | | |
| 9089 | | > isolde sim resume |
| 9090 | | |
| 9091 | | > isolde sim pause |
| 9092 | | |
| 9093 | | > isolde sim resume |
| 9094 | | |
| 9095 | | > select clear |
| 9096 | | |
| 9097 | | > isolde pepflip sel |
| 9098 | | |
| 9099 | | Flipping the peptide bond for 1 residues |
| 9100 | | |
| 9101 | | > select clear |
| 9102 | | |
| 9103 | | > isolde sim pause |
| 9104 | | |
| 9105 | | > isolde sim resume |
| 9106 | | |
| 9107 | | > select clear |
| 9108 | | |
| 9109 | | > isolde pepflip sel |
| 9110 | | |
| 9111 | | Flipping the peptide bond for 1 residues |
| 9112 | | |
| 9113 | | > isolde pepflip sel |
| 9114 | | |
| 9115 | | Flipping the peptide bond for 1 residues |
| 9116 | | |
| 9117 | | > select clear |
| 9118 | | |
| 9119 | | > ui tool show "Ramachandran Plot" |
| 9120 | | |
| 9121 | | > select clear |
| 9122 | | |
| 9123 | | > isolde sim pause |
| 9124 | | |
| 9125 | | > ui tool show "Ramachandran Plot" |
| 9126 | | |
| 9127 | | > isolde sim resume |
| 9128 | | |
| 9129 | | > select clear |
| 9130 | | |
| 9131 | | > isolde pepflip sel |
| 9132 | | |
| 9133 | | Flipping the peptide bond for 1 residues |
| 9134 | | |
| 9135 | | > isolde pepflip sel |
| 9136 | | |
| 9137 | | Flipping the peptide bond for 1 residues |
| 9138 | | |
| 9139 | | > isolde pepflip sel |
| 9140 | | |
| 9141 | | Flipping the peptide bond for 1 residues |
| 9142 | | |
| 9143 | | > isolde pepflip sel |
| 9144 | | |
| 9145 | | Flipping the peptide bond for 1 residues |
| 9146 | | |
| 9147 | | > isolde pepflip sel |
| 9148 | | |
| 9149 | | Flipping the peptide bond for 1 residues |
| 9150 | | |
| 9151 | | > isolde pepflip sel |
| 9152 | | |
| 9153 | | Flipping the peptide bond for 1 residues |
| 9154 | | |
| 9155 | | > ui tool show "Ramachandran Plot" |
| 9156 | | |
| 9157 | | > select clear |
| 9158 | | |
| 9159 | | > isolde sim pause |
| 9160 | | |
| 9161 | | > ui tool show "Ramachandran Plot" |
| 9162 | | |
| 9163 | | > select clear |
| 9164 | | |
| 9165 | | > isolde sim resume |
| 9166 | | |
| 9167 | | > isolde pepflip sel |
| 9168 | | |
| 9169 | | Flipping the peptide bond for 1 residues |
| 9170 | | |
| 9171 | | > select clear |
| 9172 | | |
| 9173 | | > isolde pepflip sel |
| 9174 | | |
| 9175 | | Flipping the peptide bond for 1 residues |
| 9176 | | |
| 9177 | | > ui tool show "Ramachandran Plot" |
| 9178 | | |
| 9179 | | > select clear |
| 9180 | | |
| 9181 | | > isolde sim pause |
| 9182 | | |
| 9183 | | > isolde sim resume |
| 9184 | | |
| 9185 | | > ui tool show "Ramachandran Plot" |
| 9186 | | |
| 9187 | | [Repeated 2 time(s)] |
| 9188 | | |
| 9189 | | > select clear |
| 9190 | | |
| 9191 | | > isolde pepflip sel |
| 9192 | | |
| 9193 | | Flipping the peptide bond for 1 residues |
| 9194 | | |
| 9195 | | > ui tool show "Ramachandran Plot" |
| 9196 | | |
| 9197 | | > select clear |
| 9198 | | |
| 9199 | | [Repeated 2 time(s)] |
| 9200 | | |
| 9201 | | > ui tool show "Ramachandran Plot" |
| 9202 | | |
| 9203 | | > select clear |
| 9204 | | |
| 9205 | | > ui tool show "Ramachandran Plot" |
| 9206 | | |
| 9207 | | Traceback (most recent call last): |
| 9208 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9209 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 9210 | | func(*args, **kwargs) |
| 9211 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 9212 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 9213 | | on_resize |
| 9214 | | c.draw() |
| 9215 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9216 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 9217 | | self.figure.draw(self.renderer) |
| 9218 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9219 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 9220 | | result = draw(artist, renderer, *args, **kwargs) |
| 9221 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9222 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 9223 | | return draw(artist, renderer) |
| 9224 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9225 | | packages/matplotlib/figure.py", line 2796, in draw |
| 9226 | | artists = self._get_draw_artists(renderer) |
| 9227 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9228 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 9229 | | ax.apply_aspect() |
| 9230 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9231 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 9232 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 9233 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9234 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 9235 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 9236 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 9237 | | |
| 9238 | | > select clear |
| 9239 | | |
| 9240 | | > ui tool show "Ramachandran Plot" |
| 9241 | | |
| 9242 | | > select clear |
| 9243 | | |
| 9244 | | > ui tool show "Ramachandran Plot" |
| 9245 | | |
| 9246 | | > style #1/q:34|/q:39 sphere |
| 9247 | | |
| 9248 | | Changed 38 atom styles |
| 9249 | | |
| 9250 | | > style #1/q:34|/q:39 stick |
| 9251 | | |
| 9252 | | Changed 38 atom styles |
| 9253 | | |
| 9254 | | > ui tool show "Ramachandran Plot" |
| 9255 | | |
| 9256 | | > select clear |
| 9257 | | |
| 9258 | | > isolde sim pause |
| 9259 | | |
| 9260 | | > style #1/q:34|/q:39|/q:32 sphere |
| 9261 | | |
| 9262 | | Changed 57 atom styles |
| 9263 | | |
| 9264 | | > style #1/q:34|/q:39|/q:32 stick |
| 9265 | | |
| 9266 | | Changed 57 atom styles |
| 9267 | | |
| 9268 | | > ui tool show "Ramachandran Plot" |
| 9269 | | |
| 9270 | | > isolde sim resume |
| 9271 | | |
| 9272 | | > isolde sim stop |
| 9273 | | |
| 9274 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9275 | | chains... |
| 9276 | | ISOLDE: stopped sim |
| 9277 | | |
| 9278 | | > isolde sim start sel |
| 9279 | | |
| 9280 | | ISOLDE: started sim |
| 9281 | | |
| 9282 | | > select clear |
| 9283 | | |
| 9284 | | > isolde pepflip sel |
| 9285 | | |
| 9286 | | Flipping the peptide bond for 1 residues |
| 9287 | | |
| 9288 | | > isolde pepflip sel |
| 9289 | | |
| 9290 | | Flipping the peptide bond for 1 residues |
| 9291 | | |
| 9292 | | > isolde pepflip sel |
| 9293 | | |
| 9294 | | Flipping the peptide bond for 1 residues |
| 9295 | | |
| 9296 | | > isolde pepflip sel |
| 9297 | | |
| 9298 | | Flipping the peptide bond for 1 residues |
| 9299 | | |
| 9300 | | > isolde pepflip sel |
| 9301 | | |
| 9302 | | Flipping the peptide bond for 1 residues |
| 9303 | | |
| 9304 | | > isolde pepflip sel |
| 9305 | | |
| 9306 | | Flipping the peptide bond for 1 residues |
| 9307 | | |
| 9308 | | > isolde pepflip sel |
| 9309 | | |
| 9310 | | Flipping the peptide bond for 1 residues |
| 9311 | | |
| 9312 | | > isolde sim pause |
| 9313 | | |
| 9314 | | > isolde sim resume |
| 9315 | | |
| 9316 | | > ui tool show "Ramachandran Plot" |
| 9317 | | |
| 9318 | | [Repeated 1 time(s)] |
| 9319 | | |
| 9320 | | > select clear |
| 9321 | | |
| 9322 | | [Repeated 2 time(s)] |
| 9323 | | |
| 9324 | | > ui tool show "Ramachandran Plot" |
| 9325 | | |
| 9326 | | [Repeated 2 time(s)] |
| 9327 | | |
| 9328 | | > isolde pepflip sel |
| 9329 | | |
| 9330 | | Flipping the peptide bond for 1 residues |
| 9331 | | |
| 9332 | | > select clear |
| 9333 | | |
| 9334 | | > isolde pepflip sel |
| 9335 | | |
| 9336 | | Flipping the peptide bond for 1 residues |
| 9337 | | |
| 9338 | | > isolde pepflip sel |
| 9339 | | |
| 9340 | | Flipping the peptide bond for 1 residues |
| 9341 | | |
| 9342 | | > select clear |
| 9343 | | |
| 9344 | | [Repeated 2 time(s)] |
| 9345 | | |
| 9346 | | > style #1/q:23-24 sphere |
| 9347 | | |
| 9348 | | Changed 35 atom styles |
| 9349 | | |
| 9350 | | > style #1/q:23-24 stick |
| 9351 | | |
| 9352 | | Changed 35 atom styles |
| 9353 | | |
| 9354 | | > ui tool show "Ramachandran Plot" |
| 9355 | | |
| 9356 | | > select clear |
| 9357 | | |
| 9358 | | > ui tool show "Ramachandran Plot" |
| 9359 | | |
| 9360 | | > select clear |
| 9361 | | |
| 9362 | | [Repeated 2 time(s)] |
| 9363 | | |
| 9364 | | > isolde sim pause |
| 9365 | | |
| 9366 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 9367 | | > mut8-no-C-ter/20-2-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 9368 | | > step20-2.pdb |
| 9369 | | |
| 9370 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 9371 | | > mut8-no-C-ter/20-2-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 9372 | | > step20-2.cxs |
| 9373 | | |
| 9374 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 9375 | | |
| 9376 | | > isolde sim resume |
| 9377 | | |
| 9378 | | > ui tool show "Ramachandran Plot" |
| 9379 | | |
| 9380 | | Traceback (most recent call last): |
| 9381 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9382 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 9383 | | func(*args, **kwargs) |
| 9384 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 9385 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 9386 | | on_resize |
| 9387 | | c.draw() |
| 9388 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9389 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 9390 | | self.figure.draw(self.renderer) |
| 9391 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9392 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 9393 | | result = draw(artist, renderer, *args, **kwargs) |
| 9394 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9395 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 9396 | | return draw(artist, renderer) |
| 9397 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9398 | | packages/matplotlib/figure.py", line 2796, in draw |
| 9399 | | artists = self._get_draw_artists(renderer) |
| 9400 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9401 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 9402 | | ax.apply_aspect() |
| 9403 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9404 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 9405 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 9406 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9407 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 9408 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 9409 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 9410 | | |
| 9411 | | > isolde sim pause |
| 9412 | | |
| 9413 | | > view #1/q:24 |
| 9414 | | |
| 9415 | | > isolde sim resume |
| 9416 | | |
| 9417 | | > select clear |
| 9418 | | |
| 9419 | | [Repeated 2 time(s)] |
| 9420 | | |
| 9421 | | > isolde pepflip sel |
| 9422 | | |
| 9423 | | Flipping the peptide bond for 1 residues |
| 9424 | | |
| 9425 | | > select clear |
| 9426 | | |
| 9427 | | [Repeated 4 time(s)] |
| 9428 | | |
| 9429 | | > ui tool show "Ramachandran Plot" |
| 9430 | | |
| 9431 | | > style #1/i:23-24|/n:68 sphere |
| 9432 | | |
| 9433 | | Changed 53 atom styles |
| 9434 | | |
| 9435 | | > style #1/i:23-24|/n:68 stick] |
| 9436 | | |
| 9437 | | Expected a keyword |
| 9438 | | |
| 9439 | | > style #1/i:23-24|/n:68 stick |
| 9440 | | |
| 9441 | | Changed 53 atom styles |
| 9442 | | |
| 9443 | | > style #1/q:23-24|/n:68 sphere |
| 9444 | | |
| 9445 | | Changed 59 atom styles |
| 9446 | | |
| 9447 | | > style #1/q:23-24|/n:68 stick |
| 9448 | | |
| 9449 | | Changed 59 atom styles |
| 9450 | | |
| 9451 | | > ui tool show "Ramachandran Plot" |
| 9452 | | |
| 9453 | | > isolde sim stop |
| 9454 | | |
| 9455 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9456 | | chains... |
| 9457 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 9458 | | standards. |
| 9459 | | ISOLDE: stopped sim |
| 9460 | | |
| 9461 | | > view #1/q:41 |
| 9462 | | |
| 9463 | | > select #1/q:41 |
| 9464 | | |
| 9465 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 9466 | | |
| 9467 | | > isolde sim start sel |
| 9468 | | |
| 9469 | | ISOLDE: started sim |
| 9470 | | |
| 9471 | | > ui tool show "Ramachandran Plot" |
| 9472 | | |
| 9473 | | > select clear |
| 9474 | | |
| 9475 | | > isolde sim stop |
| 9476 | | |
| 9477 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9478 | | chains... |
| 9479 | | ISOLDE: stopped sim |
| 9480 | | |
| 9481 | | > isolde sim start sel |
| 9482 | | |
| 9483 | | ISOLDE: started sim |
| 9484 | | |
| 9485 | | > ui tool show "Ramachandran Plot" |
| 9486 | | |
| 9487 | | > select clear |
| 9488 | | |
| 9489 | | [Repeated 1 time(s)] |
| 9490 | | |
| 9491 | | > isolde pepflip sel |
| 9492 | | |
| 9493 | | Flipping the peptide bond for 1 residues |
| 9494 | | |
| 9495 | | > isolde pepflip sel |
| 9496 | | |
| 9497 | | Flipping the peptide bond for 1 residues |
| 9498 | | |
| 9499 | | > isolde pepflip sel |
| 9500 | | |
| 9501 | | Flipping the peptide bond for 1 residues |
| 9502 | | |
| 9503 | | > isolde sim stop discardTo start |
| 9504 | | |
| 9505 | | reverting to start |
| 9506 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9507 | | chains... |
| 9508 | | ISOLDE: stopped sim |
| 9509 | | |
| 9510 | | > isolde sim start sel |
| 9511 | | |
| 9512 | | ISOLDE: started sim |
| 9513 | | |
| 9514 | | > ui tool show "Ramachandran Plot" |
| 9515 | | |
| 9516 | | > select clear |
| 9517 | | |
| 9518 | | > isolde pepflip sel |
| 9519 | | |
| 9520 | | Flipping the peptide bond for 1 residues |
| 9521 | | |
| 9522 | | > select clear |
| 9523 | | |
| 9524 | | > isolde pepflip sel |
| 9525 | | |
| 9526 | | Flipping the peptide bond for 1 residues |
| 9527 | | |
| 9528 | | > isolde pepflip sel |
| 9529 | | |
| 9530 | | Flipping the peptide bond for 1 residues |
| 9531 | | |
| 9532 | | > select clear |
| 9533 | | |
| 9534 | | > isolde pepflip sel |
| 9535 | | |
| 9536 | | Flipping the peptide bond for 1 residues |
| 9537 | | |
| 9538 | | > isolde pepflip sel |
| 9539 | | |
| 9540 | | Flipping the peptide bond for 1 residues |
| 9541 | | |
| 9542 | | > isolde pepflip sel |
| 9543 | | |
| 9544 | | Flipping the peptide bond for 1 residues |
| 9545 | | |
| 9546 | | > isolde pepflip sel |
| 9547 | | |
| 9548 | | Flipping the peptide bond for 1 residues |
| 9549 | | |
| 9550 | | > isolde pepflip sel |
| 9551 | | |
| 9552 | | Flipping the peptide bond for 1 residues |
| 9553 | | |
| 9554 | | > select clear |
| 9555 | | |
| 9556 | | > ui tool show "Ramachandran Plot" |
| 9557 | | |
| 9558 | | [Repeated 1 time(s)] |
| 9559 | | |
| 9560 | | > isolde sim stop |
| 9561 | | |
| 9562 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9563 | | chains... |
| 9564 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 9565 | | standards. |
| 9566 | | ISOLDE: stopped sim |
| 9567 | | |
| 9568 | | > view #1/q:41 |
| 9569 | | |
| 9570 | | > select #1/q:41 |
| 9571 | | |
| 9572 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 9573 | | |
| 9574 | | > isolde sim start sel |
| 9575 | | |
| 9576 | | ISOLDE: started sim |
| 9577 | | |
| 9578 | | > ui tool show "Ramachandran Plot" |
| 9579 | | |
| 9580 | | > select clear |
| 9581 | | |
| 9582 | | > isolde sim stop |
| 9583 | | |
| 9584 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9585 | | chains... |
| 9586 | | ISOLDE: stopped sim |
| 9587 | | |
| 9588 | | > ui tool show "Ramachandran Plot" |
| 9589 | | |
| 9590 | | > isolde sim start sel |
| 9591 | | |
| 9592 | | ISOLDE: started sim |
| 9593 | | |
| 9594 | | > isolde pepflip sel |
| 9595 | | |
| 9596 | | Flipping the peptide bond for 1 residues |
| 9597 | | |
| 9598 | | > isolde pepflip sel |
| 9599 | | |
| 9600 | | Flipping the peptide bond for 1 residues |
| 9601 | | |
| 9602 | | > select clear |
| 9603 | | |
| 9604 | | > ui tool show "Ramachandran Plot" |
| 9605 | | |
| 9606 | | > isolde pepflip sel |
| 9607 | | |
| 9608 | | Flipping the peptide bond for 1 residues |
| 9609 | | |
| 9610 | | > select clear |
| 9611 | | |
| 9612 | | > ui tool show "Ramachandran Plot" |
| 9613 | | |
| 9614 | | > select clear |
| 9615 | | |
| 9616 | | [Repeated 1 time(s)] |
| 9617 | | |
| 9618 | | > isolde sim stop |
| 9619 | | |
| 9620 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9621 | | chains... |
| 9622 | | ISOLDE: stopped sim |
| 9623 | | |
| 9624 | | > ui tool show "Ramachandran Plot" |
| 9625 | | |
| 9626 | | > isolde sim start sel |
| 9627 | | |
| 9628 | | ISOLDE: started sim |
| 9629 | | |
| 9630 | | > ui tool show "Ramachandran Plot" |
| 9631 | | |
| 9632 | | > select clear |
| 9633 | | |
| 9634 | | > isolde sim stop |
| 9635 | | |
| 9636 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9637 | | chains... |
| 9638 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 9639 | | standards. |
| 9640 | | ISOLDE: stopped sim |
| 9641 | | |
| 9642 | | > ui tool show "Ramachandran Plot" |
| 9643 | | |
| 9644 | | > isolde sim start sel |
| 9645 | | |
| 9646 | | ISOLDE: started sim |
| 9647 | | |
| 9648 | | > ui tool show "Ramachandran Plot" |
| 9649 | | |
| 9650 | | > select clear |
| 9651 | | |
| 9652 | | > ui tool show "Ramachandran Plot" |
| 9653 | | |
| 9654 | | > isolde sim stop |
| 9655 | | |
| 9656 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9657 | | chains... |
| 9658 | | ISOLDE: stopped sim |
| 9659 | | |
| 9660 | | > ui tool show "Ramachandran Plot" |
| 9661 | | |
| 9662 | | > isolde sim start sel |
| 9663 | | |
| 9664 | | ISOLDE: started sim |
| 9665 | | |
| 9666 | | > ui tool show "Ramachandran Plot" |
| 9667 | | |
| 9668 | | > isolde pepflip sel |
| 9669 | | |
| 9670 | | Flipping the peptide bond for 1 residues |
| 9671 | | |
| 9672 | | > isolde pepflip sel |
| 9673 | | |
| 9674 | | Flipping the peptide bond for 1 residues |
| 9675 | | |
| 9676 | | > isolde pepflip sel |
| 9677 | | |
| 9678 | | Flipping the peptide bond for 1 residues |
| 9679 | | |
| 9680 | | > isolde pepflip sel |
| 9681 | | |
| 9682 | | Flipping the peptide bond for 1 residues |
| 9683 | | |
| 9684 | | > select clear |
| 9685 | | |
| 9686 | | [Repeated 1 time(s)] |
| 9687 | | |
| 9688 | | > isolde pepflip sel |
| 9689 | | |
| 9690 | | Flipping the peptide bond for 1 residues |
| 9691 | | |
| 9692 | | > select clear |
| 9693 | | |
| 9694 | | [Repeated 1 time(s)] |
| 9695 | | |
| 9696 | | > ui tool show "Ramachandran Plot" |
| 9697 | | |
| 9698 | | > select clear |
| 9699 | | |
| 9700 | | > ui tool show "Ramachandran Plot" |
| 9701 | | |
| 9702 | | > select clear |
| 9703 | | |
| 9704 | | > isolde pepflip sel |
| 9705 | | |
| 9706 | | Flipping the peptide bond for 1 residues |
| 9707 | | |
| 9708 | | > select clear |
| 9709 | | |
| 9710 | | [Repeated 2 time(s)] |
| 9711 | | |
| 9712 | | > ui tool show "Ramachandran Plot" |
| 9713 | | |
| 9714 | | > select clear |
| 9715 | | |
| 9716 | | > isolde sim stop |
| 9717 | | |
| 9718 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9719 | | chains... |
| 9720 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 9721 | | standards. |
| 9722 | | ISOLDE: stopped sim |
| 9723 | | |
| 9724 | | > ui tool show "Ramachandran Plot" |
| 9725 | | |
| 9726 | | > isolde sim start sel |
| 9727 | | |
| 9728 | | ISOLDE: started sim |
| 9729 | | |
| 9730 | | > isolde pepflip sel |
| 9731 | | |
| 9732 | | Flipping the peptide bond for 1 residues |
| 9733 | | |
| 9734 | | > isolde pepflip sel |
| 9735 | | |
| 9736 | | Flipping the peptide bond for 1 residues |
| 9737 | | |
| 9738 | | > isolde pepflip sel |
| 9739 | | |
| 9740 | | Flipping the peptide bond for 1 residues |
| 9741 | | |
| 9742 | | > select clear |
| 9743 | | |
| 9744 | | > isolde pepflip sel |
| 9745 | | |
| 9746 | | Flipping the peptide bond for 1 residues |
| 9747 | | |
| 9748 | | > isolde pepflip sel |
| 9749 | | |
| 9750 | | Flipping the peptide bond for 1 residues |
| 9751 | | |
| 9752 | | > select clear |
| 9753 | | |
| 9754 | | > isolde pepflip sel |
| 9755 | | |
| 9756 | | Flipping the peptide bond for 1 residues |
| 9757 | | |
| 9758 | | > isolde pepflip sel |
| 9759 | | |
| 9760 | | Flipping the peptide bond for 1 residues |
| 9761 | | |
| 9762 | | > select clear |
| 9763 | | |
| 9764 | | [Repeated 1 time(s)] |
| 9765 | | |
| 9766 | | > ui tool show "Ramachandran Plot" |
| 9767 | | |
| 9768 | | > select clear |
| 9769 | | |
| 9770 | | > isolde pepflip sel |
| 9771 | | |
| 9772 | | Flipping the peptide bond for 1 residues |
| 9773 | | |
| 9774 | | > select clear |
| 9775 | | |
| 9776 | | [Repeated 2 time(s)] |
| 9777 | | |
| 9778 | | > ui tool show "Ramachandran Plot" |
| 9779 | | |
| 9780 | | > select clear |
| 9781 | | |
| 9782 | | [Repeated 2 time(s)] |
| 9783 | | |
| 9784 | | > isolde pepflip sel |
| 9785 | | |
| 9786 | | Flipping the peptide bond for 1 residues |
| 9787 | | |
| 9788 | | > select clear |
| 9789 | | |
| 9790 | | [Repeated 1 time(s)] |
| 9791 | | |
| 9792 | | > isolde pepflip sel |
| 9793 | | |
| 9794 | | Flipping the peptide bond for 1 residues |
| 9795 | | |
| 9796 | | > isolde pepflip sel |
| 9797 | | |
| 9798 | | Flipping the peptide bond for 1 residues |
| 9799 | | |
| 9800 | | > isolde pepflip sel |
| 9801 | | |
| 9802 | | Flipping the peptide bond for 1 residues |
| 9803 | | |
| 9804 | | > select clear |
| 9805 | | |
| 9806 | | > isolde sim pause |
| 9807 | | |
| 9808 | | > isolde sim resume |
| 9809 | | |
| 9810 | | > isolde sim stop |
| 9811 | | |
| 9812 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9813 | | chains... |
| 9814 | | ISOLDE: stopped sim |
| 9815 | | |
| 9816 | | > select #1/o:74-81|/o:12 |
| 9817 | | |
| 9818 | | 140 atoms, 138 bonds, 9 residues, 1 model selected |
| 9819 | | |
| 9820 | | > isolde sim start sel |
| 9821 | | |
| 9822 | | ISOLDE: started sim |
| 9823 | | |
| 9824 | | > isolde pepflip sel |
| 9825 | | |
| 9826 | | Flipping the peptide bond for 1 residues |
| 9827 | | |
| 9828 | | Multiple residues selected! Going to the first... |
| 9829 | | |
| 9830 | | > view #1/o:74 |
| 9831 | | |
| 9832 | | > select clear |
| 9833 | | |
| 9834 | | [Repeated 3 time(s)] |
| 9835 | | |
| 9836 | | > ui tool show "Ramachandran Plot" |
| 9837 | | |
| 9838 | | > isolde pepflip sel |
| 9839 | | |
| 9840 | | Flipping the peptide bond for 1 residues |
| 9841 | | |
| 9842 | | > isolde pepflip sel |
| 9843 | | |
| 9844 | | Flipping the peptide bond for 1 residues |
| 9845 | | |
| 9846 | | > select clear |
| 9847 | | |
| 9848 | | > isolde pepflip sel |
| 9849 | | |
| 9850 | | Flipping the peptide bond for 1 residues |
| 9851 | | |
| 9852 | | > select clear |
| 9853 | | |
| 9854 | | > ui tool show "Ramachandran Plot" |
| 9855 | | |
| 9856 | | > view #1/o:74 |
| 9857 | | |
| 9858 | | > select clear |
| 9859 | | |
| 9860 | | > ui tool show "Ramachandran Plot" |
| 9861 | | |
| 9862 | | > select clear |
| 9863 | | |
| 9864 | | [Repeated 1 time(s)]Traceback (most recent call last): |
| 9865 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9866 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 9867 | | func(*args, **kwargs) |
| 9868 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 9869 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 9870 | | on_resize |
| 9871 | | c.draw() |
| 9872 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9873 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 9874 | | self.figure.draw(self.renderer) |
| 9875 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9876 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 9877 | | result = draw(artist, renderer, *args, **kwargs) |
| 9878 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9879 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 9880 | | return draw(artist, renderer) |
| 9881 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9882 | | packages/matplotlib/figure.py", line 2796, in draw |
| 9883 | | artists = self._get_draw_artists(renderer) |
| 9884 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9885 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 9886 | | ax.apply_aspect() |
| 9887 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9888 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 9889 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 9890 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9891 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 9892 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 9893 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 9894 | | |
| 9895 | | > select clear |
| 9896 | | |
| 9897 | | > isolde pepflip sel |
| 9898 | | |
| 9899 | | Flipping the peptide bond for 1 residues |
| 9900 | | |
| 9901 | | > isolde pepflip sel |
| 9902 | | |
| 9903 | | Flipping the peptide bond for 1 residues |
| 9904 | | |
| 9905 | | > select clear |
| 9906 | | |
| 9907 | | [Repeated 1 time(s)] |
| 9908 | | |
| 9909 | | > view #1/o:74 |
| 9910 | | |
| 9911 | | > isolde sim pause |
| 9912 | | |
| 9913 | | > ui tool show "Ramachandran Plot" |
| 9914 | | |
| 9915 | | > isolde sim resume |
| 9916 | | |
| 9917 | | > ui tool show "Ramachandran Plot" |
| 9918 | | |
| 9919 | | > select clear |
| 9920 | | |
| 9921 | | > ui tool show "Ramachandran Plot" |
| 9922 | | |
| 9923 | | > isolde sim pause |
| 9924 | | |
| 9925 | | > ui tool show "Ramachandran Plot" |
| 9926 | | |
| 9927 | | > view #1/o:74 |
| 9928 | | |
| 9929 | | > isolde sim resume |
| 9930 | | |
| 9931 | | > ui tool show "Ramachandran Plot" |
| 9932 | | |
| 9933 | | > isolde sim pause |
| 9934 | | |
| 9935 | | > isolde sim stop |
| 9936 | | |
| 9937 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9938 | | chains... |
| 9939 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 9940 | | standards. |
| 9941 | | ISOLDE: stopped sim |
| 9942 | | |
| 9943 | | > isolde sim start sel |
| 9944 | | |
| 9945 | | ISOLDE: started sim |
| 9946 | | |
| 9947 | | > ui tool show "Ramachandran Plot" |
| 9948 | | |
| 9949 | | > select clear |
| 9950 | | |
| 9951 | | > isolde sim stop |
| 9952 | | |
| 9953 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9954 | | chains... |
| 9955 | | ISOLDE: stopped sim |
| 9956 | | |
| 9957 | | > view #1/o:74 |
| 9958 | | |
| 9959 | | > view #1/o:74-81|/o:12 |
| 9960 | | |
| 9961 | | > select #1/o:74-81|/o:12 |
| 9962 | | |
| 9963 | | 140 atoms, 138 bonds, 9 residues, 1 model selected |
| 9964 | | |
| 9965 | | > isolde sim start sel |
| 9966 | | |
| 9967 | | ISOLDE: started sim |
| 9968 | | |
| 9969 | | > ui tool show "Ramachandran Plot" |
| 9970 | | |
| 9971 | | > select clear |
| 9972 | | |
| 9973 | | > isolde sim stop |
| 9974 | | |
| 9975 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9976 | | chains... |
| 9977 | | ISOLDE: stopped sim |
| 9978 | | |
| 9979 | | > select #1/o:74 |
| 9980 | | |
| 9981 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 9982 | | |
| 9983 | | > view #1/o:74 |
| 9984 | | |
| 9985 | | > isolde sim start sel |
| 9986 | | |
| 9987 | | ISOLDE: started sim |
| 9988 | | |
| 9989 | | > ui tool show "Ramachandran Plot" |
| 9990 | | |
| 9991 | | [Repeated 1 time(s)] |
| 9992 | | |
| 9993 | | > select clear |
| 9994 | | |
| 9995 | | > ui tool show "Ramachandran Plot" |
| 9996 | | |
| 9997 | | > isolde sim stop |
| 9998 | | |
| 9999 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10000 | | chains... |
| 10001 | | ISOLDE: stopped sim |
| 10002 | | |
| 10003 | | > ui tool show "Ramachandran Plot" |
| 10004 | | |
| 10005 | | > isolde sim start sel |
| 10006 | | |
| 10007 | | ISOLDE: started sim |
| 10008 | | |
| 10009 | | > ui tool show "Ramachandran Plot" |
| 10010 | | |
| 10011 | | > select clear |
| 10012 | | |
| 10013 | | > ui tool show "Ramachandran Plot" |
| 10014 | | |
| 10015 | | [Repeated 1 time(s)] |
| 10016 | | |
| 10017 | | > isolde sim stop |
| 10018 | | |
| 10019 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10020 | | chains... |
| 10021 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 10022 | | standards. |
| 10023 | | ISOLDE: stopped sim |
| 10024 | | |
| 10025 | | > ui tool show "Ramachandran Plot" |
| 10026 | | |
| 10027 | | > isolde sim start sel |
| 10028 | | |
| 10029 | | ISOLDE: started sim |
| 10030 | | |
| 10031 | | > select clear |
| 10032 | | |
| 10033 | | > ui tool show "Ramachandran Plot" |
| 10034 | | |
| 10035 | | > isolde sim pause |
| 10036 | | |
| 10037 | | > isolde sim resume |
| 10038 | | |
| 10039 | | > isolde pepflip sel |
| 10040 | | |
| 10041 | | Flipping the peptide bond for 1 residues |
| 10042 | | |
| 10043 | | > isolde pepflip sel |
| 10044 | | |
| 10045 | | Flipping the peptide bond for 1 residues |
| 10046 | | |
| 10047 | | > isolde pepflip sel |
| 10048 | | |
| 10049 | | Flipping the peptide bond for 1 residues |
| 10050 | | |
| 10051 | | > isolde pepflip sel |
| 10052 | | |
| 10053 | | Flipping the peptide bond for 1 residues |
| 10054 | | |
| 10055 | | > select clear |
| 10056 | | |
| 10057 | | > isolde pepflip sel |
| 10058 | | |
| 10059 | | Flipping the peptide bond for 1 residues |
| 10060 | | |
| 10061 | | > isolde pepflip sel |
| 10062 | | |
| 10063 | | Flipping the peptide bond for 1 residues |
| 10064 | | |
| 10065 | | > select clear |
| 10066 | | |
| 10067 | | [Repeated 2 time(s)] |
| 10068 | | |
| 10069 | | > ui tool show "Ramachandran Plot" |
| 10070 | | |
| 10071 | | > select clear |
| 10072 | | |
| 10073 | | [Repeated 1 time(s)] |
| 10074 | | |
| 10075 | | > view #1/l:33 |
| 10076 | | |
| 10077 | | > select clear |
| 10078 | | |
| 10079 | | [Repeated 1 time(s)] |
| 10080 | | |
| 10081 | | > isolde pepflip sel |
| 10082 | | |
| 10083 | | Flipping the peptide bond for 1 residues |
| 10084 | | |
| 10085 | | > select clear |
| 10086 | | |
| 10087 | | > ui tool show "Ramachandran Plot" |
| 10088 | | |
| 10089 | | > select clear |
| 10090 | | |
| 10091 | | > isolde sim pause |
| 10092 | | |
| 10093 | | > isolde sim resume |
| 10094 | | |
| 10095 | | > ui tool show "Ramachandran Plot" |
| 10096 | | |
| 10097 | | > isolde sim pause |
| 10098 | | |
| 10099 | | > isolde sim stop |
| 10100 | | |
| 10101 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10102 | | chains... |
| 10103 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 10104 | | standards. |
| 10105 | | ISOLDE: stopped sim |
| 10106 | | |
| 10107 | | > isolde sim start sel |
| 10108 | | |
| 10109 | | ISOLDE: started sim |
| 10110 | | |
| 10111 | | > ui tool show "Ramachandran Plot" |
| 10112 | | |
| 10113 | | > select clear |
| 10114 | | |
| 10115 | | > isolde sim pause |
| 10116 | | |
| 10117 | | > isolde sim resume |
| 10118 | | |
| 10119 | | > ui tool show "Ramachandran Plot" |
| 10120 | | |
| 10121 | | > select clear |
| 10122 | | |
| 10123 | | > isolde pepflip sel |
| 10124 | | |
| 10125 | | Flipping the peptide bond for 1 residues |
| 10126 | | |
| 10127 | | > isolde pepflip sel |
| 10128 | | |
| 10129 | | Flipping the peptide bond for 1 residues |
| 10130 | | |
| 10131 | | > isolde pepflip sel |
| 10132 | | |
| 10133 | | Flipping the peptide bond for 1 residues |
| 10134 | | |
| 10135 | | > ui tool show "Ramachandran Plot" |
| 10136 | | |
| 10137 | | > select clear |
| 10138 | | |
| 10139 | | > ui tool show "Ramachandran Plot" |
| 10140 | | |
| 10141 | | > select clear |
| 10142 | | |
| 10143 | | > isolde pepflip sel |
| 10144 | | |
| 10145 | | Flipping the peptide bond for 1 residues |
| 10146 | | |
| 10147 | | > isolde pepflip sel |
| 10148 | | |
| 10149 | | Flipping the peptide bond for 1 residues |
| 10150 | | |
| 10151 | | > ui tool show "Ramachandran Plot" |
| 10152 | | |
| 10153 | | > select clear |
| 10154 | | |
| 10155 | | [Repeated 1 time(s)] |
| 10156 | | |
| 10157 | | > isolde sim stop |
| 10158 | | |
| 10159 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10160 | | chains... |
| 10161 | | ISOLDE: stopped sim |
| 10162 | | |
| 10163 | | > view #1/l:33 |
| 10164 | | |
| 10165 | | > select #1/l:33 |
| 10166 | | |
| 10167 | | 17 atoms, 16 bonds, 1 residue, 1 model selected |
| 10168 | | |
| 10169 | | > isolde sim start sel |
| 10170 | | |
| 10171 | | ISOLDE: started sim |
| 10172 | | |
| 10173 | | > ui tool show "Ramachandran Plot" |
| 10174 | | |
| 10175 | | > select clear |
| 10176 | | |
| 10177 | | > ui tool show "Ramachandran Plot" |
| 10178 | | |
| 10179 | | > isolde sim stop |
| 10180 | | |
| 10181 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10182 | | chains... |
| 10183 | | ISOLDE: stopped sim |
| 10184 | | |
| 10185 | | > isolde sim start sel |
| 10186 | | |
| 10187 | | ISOLDE: started sim |
| 10188 | | |
| 10189 | | > select clear |
| 10190 | | |
| 10191 | | > ui tool show "Ramachandran Plot" |
| 10192 | | |
| 10193 | | > isolde pepflip sel |
| 10194 | | |
| 10195 | | Flipping the peptide bond for 1 residues |
| 10196 | | |
| 10197 | | > select clear |
| 10198 | | |
| 10199 | | [Repeated 2 time(s)] |
| 10200 | | |
| 10201 | | > ui tool show "Ramachandran Plot" |
| 10202 | | |
| 10203 | | [Repeated 2 time(s)] |
| 10204 | | |
| 10205 | | > select clear |
| 10206 | | |
| 10207 | | > ui tool show "Ramachandran Plot" |
| 10208 | | |
| 10209 | | > isolde sim pause |
| 10210 | | |
| 10211 | | > isolde sim resume |
| 10212 | | |
| 10213 | | > ui tool show "Ramachandran Plot" |
| 10214 | | |
| 10215 | | > isolde sim stop |
| 10216 | | |
| 10217 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10218 | | chains... |
| 10219 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 10220 | | standards. |
| 10221 | | ISOLDE: stopped sim |
| 10222 | | |
| 10223 | | > view #1/l:33 |
| 10224 | | |
| 10225 | | > select #1/l:33 |
| 10226 | | |
| 10227 | | 17 atoms, 16 bonds, 1 residue, 1 model selected |
| 10228 | | |
| 10229 | | > isolde sim start sel |
| 10230 | | |
| 10231 | | ISOLDE: started sim |
| 10232 | | |
| 10233 | | > ui tool show "Ramachandran Plot" |
| 10234 | | |
| 10235 | | > select clear |
| 10236 | | |
| 10237 | | > ui tool show "Ramachandran Plot" |
| 10238 | | |
| 10239 | | > isolde sim stop |
| 10240 | | |
| 10241 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10242 | | chains... |
| 10243 | | ISOLDE: stopped sim |
| 10244 | | |
| 10245 | | > ui tool show "Ramachandran Plot" |
| 10246 | | |
| 10247 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 10248 | | > mut8-no-C-ter/20-3-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 10249 | | > step20-3-afterStep1d2.cxs |
| 10250 | | |
| 10251 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 10252 | | |
| 10253 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 10254 | | > mut8-no-C-ter/20-3-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 10255 | | > step20-3-afterStep1d2.pdb |
| 10256 | | |
| 10257 | | > ui tool show "Ramachandran Plot" |
| 10258 | | |
| 10259 | | > isolde sim start sel |
| 10260 | | |
| 10261 | | ISOLDE: started sim |
| 10262 | | |
| 10263 | | > select clear |
| 10264 | | |
| 10265 | | > isolde sim pause |
| 10266 | | |
| 10267 | | > select clear |
| 10268 | | |
| 10269 | | > isolde sim resume |
| 10270 | | |
| 10271 | | > select clear |
| 10272 | | |
| 10273 | | > ui tool show "Ramachandran Plot" |
| 10274 | | |
| 10275 | | > select clear |
| 10276 | | |
| 10277 | | > isolde sim pause |
| 10278 | | |
| 10279 | | > isolde sim resume |
| 10280 | | |
| 10281 | | > ui tool show "Ramachandran Plot" |
| 10282 | | |
| 10283 | | > isolde sim stop |
| 10284 | | |
| 10285 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10286 | | chains... |
| 10287 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 10288 | | standards. |
| 10289 | | ISOLDE: stopped sim |
| 10290 | | |
| 10291 | | > select #1/u:100-109 |
| 10292 | | |
| 10293 | | 161 atoms, 160 bonds, 10 residues, 1 model selected |
| 10294 | | |
| 10295 | | > isolde sim start sel |
| 10296 | | |
| 10297 | | ISOLDE: started sim |
| 10298 | | |
| 10299 | | > ui tool show "Ramachandran Plot" |
| 10300 | | |
| 10301 | | > isolde sim pause |
| 10302 | | |
| 10303 | | > ui tool show "Ramachandran Plot" |
| 10304 | | |
| 10305 | | > isolde sim resume |
| 10306 | | |
| 10307 | | > ui tool show "Ramachandran Plot" |
| 10308 | | |
| 10309 | | > isolde sim pause |
| 10310 | | |
| 10311 | | > isolde sim resume |
| 10312 | | |
| 10313 | | > isolde sim stop |
| 10314 | | |
| 10315 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10316 | | chains... |
| 10317 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 10318 | | standards. |
| 10319 | | ISOLDE: stopped sim |
| 10320 | | |
| 10321 | | > select #1/u:115-116 |
| 10322 | | |
| 10323 | | 43 atoms, 42 bonds, 2 residues, 1 model selected |
| 10324 | | |
| 10325 | | > isolde sim start sel |
| 10326 | | |
| 10327 | | ISOLDE: started sim |
| 10328 | | |
| 10329 | | > select clear |
| 10330 | | |
| 10331 | | > isolde pepflip sel |
| 10332 | | |
| 10333 | | Flipping the peptide bond for 1 residues |
| 10334 | | |
| 10335 | | > ui tool show "Ramachandran Plot" |
| 10336 | | |
| 10337 | | > view #1/u:115-116 |
| 10338 | | |
| 10339 | | > isolde sim pause |
| 10340 | | |
| 10341 | | > ui tool show "Ramachandran Plot" |
| 10342 | | |
| 10343 | | > isolde sim resume |
| 10344 | | |
| 10345 | | > isolde sim stop |
| 10346 | | |
| 10347 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10348 | | chains... |
| 10349 | | ISOLDE: stopped sim |
| 10350 | | |
| 10351 | | > isolde sim start sel |
| 10352 | | |
| 10353 | | ISOLDE: started sim |
| 10354 | | |
| 10355 | | > isolde sim pause |
| 10356 | | |
| 10357 | | > isolde sim resume |
| 10358 | | |
| 10359 | | > isolde sim pause |
| 10360 | | |
| 10361 | | > isolde sim resume |
| 10362 | | |
| 10363 | | > ui tool show "Ramachandran Plot" |
| 10364 | | |
| 10365 | | > isolde sim stop |
| 10366 | | |
| 10367 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10368 | | chains... |
| 10369 | | ISOLDE: stopped sim |
| 10370 | | |
| 10371 | | > select #1/t:127-131 |
| 10372 | | |
| 10373 | | 85 atoms, 85 bonds, 5 residues, 1 model selected |
| 10374 | | |
| 10375 | | > isolde sim start sel |
| 10376 | | |
| 10377 | | ISOLDE: started sim |
| 10378 | | |
| 10379 | | > isolde pepflip sel |
| 10380 | | |
| 10381 | | Flipping the peptide bond for 1 residues |
| 10382 | | |
| 10383 | | > isolde pepflip sel |
| 10384 | | |
| 10385 | | Flipping the peptide bond for 1 residues |
| 10386 | | |
| 10387 | | > ui tool show "Ramachandran Plot" |
| 10388 | | |
| 10389 | | > select clear |
| 10390 | | |
| 10391 | | > isolde sim pause |
| 10392 | | |
| 10393 | | > ui tool show "Ramachandran Plot" |
| 10394 | | |
| 10395 | | > isolde sim resume |
| 10396 | | |
| 10397 | | > isolde pepflip sel |
| 10398 | | |
| 10399 | | Flipping the peptide bond for 1 residues |
| 10400 | | |
| 10401 | | > isolde pepflip sel |
| 10402 | | |
| 10403 | | Flipping the peptide bond for 1 residues |
| 10404 | | |
| 10405 | | > isolde sim stop |
| 10406 | | |
| 10407 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10408 | | chains... |
| 10409 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 10410 | | standards. |
| 10411 | | ISOLDE: stopped sim |
| 10412 | | |
| 10413 | | > select #1/t:107-111 |
| 10414 | | |
| 10415 | | 85 atoms, 85 bonds, 5 residues, 1 model selected |
| 10416 | | |
| 10417 | | > isolde sim start sel |
| 10418 | | |
| 10419 | | ISOLDE: started sim |
| 10420 | | |
| 10421 | | > select clear |
| 10422 | | |
| 10423 | | > isolde pepflip sel |
| 10424 | | |
| 10425 | | Flipping the peptide bond for 1 residues |
| 10426 | | |
| 10427 | | > isolde pepflip sel |
| 10428 | | |
| 10429 | | Flipping the peptide bond for 1 residues |
| 10430 | | |
| 10431 | | > isolde pepflip sel |
| 10432 | | |
| 10433 | | Flipping the peptide bond for 1 residues |
| 10434 | | |
| 10435 | | > isolde pepflip sel |
| 10436 | | |
| 10437 | | Flipping the peptide bond for 1 residues |
| 10438 | | |
| 10439 | | > ui tool show "Ramachandran Plot" |
| 10440 | | |
| 10441 | | > select clear |
| 10442 | | |
| 10443 | | > isolde sim pause |
| 10444 | | |
| 10445 | | 3 models selected |
| 10446 | | |
| 10447 | | > select clear |
| 10448 | | |
| 10449 | | > isolde sim resume |
| 10450 | | |
| 10451 | | > select clear |
| 10452 | | |
| 10453 | | > ui tool show "Ramachandran Plot" |
| 10454 | | |
| 10455 | | > select clear |
| 10456 | | |
| 10457 | | > isolde sim stop |
| 10458 | | |
| 10459 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10460 | | chains... |
| 10461 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 10462 | | standards. |
| 10463 | | ISOLDE: stopped sim |
| 10464 | | |
| 10465 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 10466 | | > mut8-no-C-ter/20-4-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 10467 | | > step20-4.pdb |
| 10468 | | |
| 10469 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 10470 | | > mut8-no-C-ter/20-4-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 10471 | | > step20-4.cxs |
| 10472 | | |
| 10473 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 10474 | | |
| 10475 | | > ui tool show "Ramachandran Plot" |
| 10476 | | |
| 10477 | | > isolde sim start sel |
| 10478 | | |
| 10479 | | ISOLDE: started sim |
| 10480 | | |
| 10481 | | > ui tool show "Ramachandran Plot" |
| 10482 | | |
| 10483 | | > isolde sim stop |
| 10484 | | |
| 10485 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10486 | | chains... |
| 10487 | | ISOLDE: stopped sim |
| 10488 | | |
| 10489 | | > view #1/t:86 |
| 10490 | | |
| 10491 | | > select #1/t:86 |
| 10492 | | |
| 10493 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 10494 | | |
| 10495 | | > isolde sim start sel |
| 10496 | | |
| 10497 | | ISOLDE: started sim |
| 10498 | | |
| 10499 | | > ui tool show "Ramachandran Plot" |
| 10500 | | |
| 10501 | | > isolde sim pause |
| 10502 | | |
| 10503 | | > isolde sim resume |
| 10504 | | |
| 10505 | | > ui tool show "Ramachandran Plot" |
| 10506 | | |
| 10507 | | > isolde sim pause |
| 10508 | | |
| 10509 | | > isolde sim stop |
| 10510 | | |
| 10511 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10512 | | chains... |
| 10513 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 10514 | | standards. |
| 10515 | | ISOLDE: stopped sim |
| 10516 | | |
| 10517 | | > isolde sim start sel |
| 10518 | | |
| 10519 | | ISOLDE: started sim |
| 10520 | | |
| 10521 | | > ui tool show "Ramachandran Plot" |
| 10522 | | |
| 10523 | | > select clear |
| 10524 | | |
| 10525 | | > isolde sim pause |
| 10526 | | |
| 10527 | | > ui tool show "Ramachandran Plot" |
| 10528 | | |
| 10529 | | > isolde sim stop |
| 10530 | | |
| 10531 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10532 | | chains... |
| 10533 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 10534 | | standards. |
| 10535 | | ISOLDE: stopped sim |
| 10536 | | |
| 10537 | | > isolde sim start sel |
| 10538 | | |
| 10539 | | ISOLDE: started sim |
| 10540 | | |
| 10541 | | > ui tool show "Ramachandran Plot" |
| 10542 | | |
| 10543 | | [Repeated 1 time(s)] |
| 10544 | | |
| 10545 | | > isolde sim stop |
| 10546 | | |
| 10547 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10548 | | chains... |
| 10549 | | ISOLDE: stopped sim |
| 10550 | | |
| 10551 | | > view #1/t:125 |
| 10552 | | |
| 10553 | | > select #1/t:125 |
| 10554 | | |
| 10555 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 10556 | | |
| 10557 | | > isolde sim start sel |
| 10558 | | |
| 10559 | | ISOLDE: started sim |
| 10560 | | |
| 10561 | | > select clear |
| 10562 | | |
| 10563 | | > isolde sim pause |
| 10564 | | |
| 10565 | | > isolde sim stop |
| 10566 | | |
| 10567 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10568 | | chains... |
| 10569 | | ISOLDE: stopped sim |
| 10570 | | |
| 10571 | | > isolde sim start sel |
| 10572 | | |
| 10573 | | ISOLDE: started sim |
| 10574 | | |
| 10575 | | > ui tool show "Ramachandran Plot" |
| 10576 | | |
| 10577 | | > isolde sim pause |
| 10578 | | |
| 10579 | | > ui tool show "Ramachandran Plot" |
| 10580 | | |
| 10581 | | > isolde sim stop |
| 10582 | | |
| 10583 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10584 | | chains... |
| 10585 | | ISOLDE: stopped sim |
| 10586 | | |
| 10587 | | > isolde sim start sel |
| 10588 | | |
| 10589 | | ISOLDE: started sim |
| 10590 | | |
| 10591 | | > ui tool show "Ramachandran Plot" |
| 10592 | | |
| 10593 | | > isolde sim pause |
| 10594 | | |
| 10595 | | > isolde sim resume |
| 10596 | | |
| 10597 | | > isolde sim pause |
| 10598 | | |
| 10599 | | > isolde sim resume |
| 10600 | | |
| 10601 | | > ui tool show "Ramachandran Plot" |
| 10602 | | |
| 10603 | | [Repeated 1 time(s)] |
| 10604 | | |
| 10605 | | > isolde sim pause |
| 10606 | | |
| 10607 | | > isolde sim stop |
| 10608 | | |
| 10609 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10610 | | chains... |
| 10611 | | ISOLDE: stopped sim |
| 10612 | | |
| 10613 | | > select #1/t:60-61 |
| 10614 | | |
| 10615 | | 24 atoms, 24 bonds, 2 residues, 1 model selected |
| 10616 | | |
| 10617 | | > isolde sim start sel |
| 10618 | | |
| 10619 | | ISOLDE: started sim |
| 10620 | | |
| 10621 | | > isolde sim pause |
| 10622 | | |
| 10623 | | > isolde sim resume |
| 10624 | | |
| 10625 | | > ui tool show "Ramachandran Plot" |
| 10626 | | |
| 10627 | | > select clear |
| 10628 | | |
| 10629 | | > isolde pepflip sel |
| 10630 | | |
| 10631 | | Flipping the peptide bond for 1 residues |
| 10632 | | |
| 10633 | | > isolde pepflip sel |
| 10634 | | |
| 10635 | | Flipping the peptide bond for 1 residues |
| 10636 | | |
| 10637 | | > isolde pepflip sel |
| 10638 | | |
| 10639 | | Flipping the peptide bond for 1 residues |
| 10640 | | |
| 10641 | | > select clear |
| 10642 | | |
| 10643 | | [Repeated 1 time(s)] |
| 10644 | | |
| 10645 | | > isolde pepflip sel |
| 10646 | | |
| 10647 | | Flipping the peptide bond for 1 residues |
| 10648 | | |
| 10649 | | > isolde pepflip sel |
| 10650 | | |
| 10651 | | Flipping the peptide bond for 1 residues |
| 10652 | | |
| 10653 | | > isolde pepflip sel |
| 10654 | | |
| 10655 | | Flipping the peptide bond for 1 residues |
| 10656 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 10657 | | |
| 10658 | | > isolde pepflip sel |
| 10659 | | |
| 10660 | | Flipping the peptide bond for 1 residues |
| 10661 | | |
| 10662 | | > isolde pepflip sel |
| 10663 | | |
| 10664 | | Flipping the peptide bond for 1 residues |
| 10665 | | |
| 10666 | | > isolde pepflip sel |
| 10667 | | |
| 10668 | | Flipping the peptide bond for 1 residues |
| 10669 | | |
| 10670 | | > select clear |
| 10671 | | |
| 10672 | | > ui tool show "Ramachandran Plot" |
| 10673 | | |
| 10674 | | [Repeated 2 time(s)] |
| 10675 | | |
| 10676 | | > select clear |
| 10677 | | |
| 10678 | | > ui tool show "Ramachandran Plot" |
| 10679 | | |
| 10680 | | > isolde sim stop |
| 10681 | | |
| 10682 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10683 | | chains... |
| 10684 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 10685 | | standards. |
| 10686 | | ISOLDE: stopped sim |
| 10687 | | |
| 10688 | | > ui tool show "Ramachandran Plot" |
| 10689 | | |
| 10690 | | > view #1/t:55 |
| 10691 | | |
| 10692 | | > select #1/t:55 |
| 10693 | | |
| 10694 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 10695 | | |
| 10696 | | > isolde sim start sel |
| 10697 | | |
| 10698 | | ISOLDE: started sim |
| 10699 | | |
| 10700 | | > ui tool show "Ramachandran Plot" |
| 10701 | | |
| 10702 | | > isolde sim stop |
| 10703 | | |
| 10704 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10705 | | chains... |
| 10706 | | ISOLDE: stopped sim |
| 10707 | | |
| 10708 | | > view #1/t:47] |
| 10709 | | |
| 10710 | | No objects specified. |
| 10711 | | |
| 10712 | | > view #1/t:47 |
| 10713 | | |
| 10714 | | > select #1/t:47 |
| 10715 | | |
| 10716 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 10717 | | |
| 10718 | | > isolde sim start sel |
| 10719 | | |
| 10720 | | ISOLDE: started sim |
| 10721 | | |
| 10722 | | > ui tool show "Ramachandran Plot" |
| 10723 | | |
| 10724 | | [Repeated 1 time(s)] |
| 10725 | | |
| 10726 | | > isolde sim stop |
| 10727 | | |
| 10728 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10729 | | chains... |
| 10730 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 10731 | | standards. |
| 10732 | | ISOLDE: stopped sim |
| 10733 | | |
| 10734 | | > view #1/t:125 |
| 10735 | | |
| 10736 | | > select #1/t:125 |
| 10737 | | |
| 10738 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 10739 | | |
| 10740 | | > isolde sim start sel |
| 10741 | | |
| 10742 | | ISOLDE: started sim |
| 10743 | | |
| 10744 | | > ui tool show "Ramachandran Plot" |
| 10745 | | |
| 10746 | | > isolde sim stop |
| 10747 | | |
| 10748 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10749 | | chains... |
| 10750 | | ISOLDE: stopped sim |
| 10751 | | |
| 10752 | | > select #1/t:125 |
| 10753 | | |
| 10754 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 10755 | | |
| 10756 | | > isolde sim start sel |
| 10757 | | |
| 10758 | | ISOLDE: started sim |
| 10759 | | |
| 10760 | | > select clear |
| 10761 | | |
| 10762 | | [Repeated 2 time(s)] |
| 10763 | | |
| 10764 | | > ui tool show "Ramachandran Plot" |
| 10765 | | |
| 10766 | | > isolde sim stop |
| 10767 | | |
| 10768 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10769 | | chains... |
| 10770 | | ISOLDE: stopped sim |
| 10771 | | |
| 10772 | | > select #1/t:86 |
| 10773 | | |
| 10774 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 10775 | | |
| 10776 | | > view #1/t:86 |
| 10777 | | |
| 10778 | | > isolde sim start sel |
| 10779 | | |
| 10780 | | ISOLDE: started sim |
| 10781 | | |
| 10782 | | > ui tool show "Ramachandran Plot" |
| 10783 | | |
| 10784 | | > select clear |
| 10785 | | |
| 10786 | | > isolde sim stop |
| 10787 | | |
| 10788 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10789 | | chains... |
| 10790 | | ISOLDE: stopped sim |
| 10791 | | |
| 10792 | | > view #1/u:87 |
| 10793 | | |
| 10794 | | > select #1/u:87 |
| 10795 | | |
| 10796 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 10797 | | |
| 10798 | | > isolde sim start sel |
| 10799 | | |
| 10800 | | ISOLDE: started sim |
| 10801 | | |
| 10802 | | > ui tool show "Ramachandran Plot" |
| 10803 | | |
| 10804 | | > select clear |
| 10805 | | |
| 10806 | | > isolde sim stop |
| 10807 | | |
| 10808 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10809 | | chains... |
| 10810 | | ISOLDE: stopped sim |
| 10811 | | |
| 10812 | | > view #1/t:107-111 |
| 10813 | | |
| 10814 | | > select #1/t:107-111 |
| 10815 | | |
| 10816 | | 85 atoms, 85 bonds, 5 residues, 1 model selected |
| 10817 | | |
| 10818 | | > isolde sim start sel |
| 10819 | | |
| 10820 | | ISOLDE: started sim |
| 10821 | | |
| 10822 | | > ui tool show "Ramachandran Plot" |
| 10823 | | |
| 10824 | | > select clear |
| 10825 | | |
| 10826 | | > isolde pepflip sel |
| 10827 | | |
| 10828 | | Flipping the peptide bond for 1 residues |
| 10829 | | |
| 10830 | | > ui tool show "Ramachandran Plot" |
| 10831 | | |
| 10832 | | [Repeated 1 time(s)] |
| 10833 | | |
| 10834 | | > isolde pepflip sel |
| 10835 | | |
| 10836 | | Flipping the peptide bond for 1 residues |
| 10837 | | |
| 10838 | | > ui tool show "Ramachandran Plot" |
| 10839 | | |
| 10840 | | > isolde sim pause |
| 10841 | | |
| 10842 | | > view #1/t:100 |
| 10843 | | |
| 10844 | | > select #1/t:100 |
| 10845 | | |
| 10846 | | 16 atoms, 15 bonds, 1 residue, 1 model selected |
| 10847 | | |
| 10848 | | > isolde sim start sel |
| 10849 | | |
| 10850 | | Simulation already running! |
| 10851 | | |
| 10852 | | > isolde sim stop |
| 10853 | | |
| 10854 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10855 | | chains... |
| 10856 | | ISOLDE: stopped sim |
| 10857 | | |
| 10858 | | > select #1/t:100 |
| 10859 | | |
| 10860 | | 16 atoms, 15 bonds, 1 residue, 1 model selected |
| 10861 | | |
| 10862 | | > isolde sim start sel |
| 10863 | | |
| 10864 | | ISOLDE: started sim |
| 10865 | | |
| 10866 | | > ui tool show "Ramachandran Plot" |
| 10867 | | |
| 10868 | | > isolde sim pause |
| 10869 | | |
| 10870 | | > isolde sim stop |
| 10871 | | |
| 10872 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10873 | | chains... |
| 10874 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 10875 | | standards. |
| 10876 | | ISOLDE: stopped sim |
| 10877 | | |
| 10878 | | > isolde sim start sel |
| 10879 | | |
| 10880 | | ISOLDE: started sim |
| 10881 | | |
| 10882 | | > select clear |
| 10883 | | |
| 10884 | | [Repeated 1 time(s)] |
| 10885 | | |
| 10886 | | > isolde pepflip sel |
| 10887 | | |
| 10888 | | Flipping the peptide bond for 1 residues |
| 10889 | | |
| 10890 | | > isolde pepflip sel |
| 10891 | | |
| 10892 | | Flipping the peptide bond for 1 residues |
| 10893 | | |
| 10894 | | > isolde pepflip sel |
| 10895 | | |
| 10896 | | Flipping the peptide bond for 1 residues |
| 10897 | | |
| 10898 | | > isolde pepflip sel |
| 10899 | | |
| 10900 | | Flipping the peptide bond for 1 residues |
| 10901 | | |
| 10902 | | > select clear |
| 10903 | | |
| 10904 | | [Repeated 1 time(s)] |
| 10905 | | |
| 10906 | | > ui tool show "Ramachandran Plot" |
| 10907 | | |
| 10908 | | > isolde pepflip sel |
| 10909 | | |
| 10910 | | Flipping the peptide bond for 1 residues |
| 10911 | | |
| 10912 | | > ui tool show "Ramachandran Plot" |
| 10913 | | |
| 10914 | | > isolde sim pause |
| 10915 | | |
| 10916 | | > isolde sim resume |
| 10917 | | |
| 10918 | | > isolde pepflip sel |
| 10919 | | |
| 10920 | | Flipping the peptide bond for 1 residues |
| 10921 | | |
| 10922 | | > ui tool show "Ramachandran Plot" |
| 10923 | | |
| 10924 | | > isolde sim stop |
| 10925 | | |
| 10926 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10927 | | chains... |
| 10928 | | ISOLDE: stopped sim |
| 10929 | | |
| 10930 | | > select #1/t:100 |
| 10931 | | |
| 10932 | | 16 atoms, 15 bonds, 1 residue, 1 model selected |
| 10933 | | |
| 10934 | | > isolde sim start sel |
| 10935 | | |
| 10936 | | ISOLDE: started sim |
| 10937 | | |
| 10938 | | > ui tool show "Ramachandran Plot" |
| 10939 | | |
| 10940 | | > isolde sim pause |
| 10941 | | |
| 10942 | | > ui tool show "Ramachandran Plot" |
| 10943 | | |
| 10944 | | > isolde sim resume |
| 10945 | | |
| 10946 | | > isolde pepflip sel |
| 10947 | | |
| 10948 | | Flipping the peptide bond for 1 residues |
| 10949 | | |
| 10950 | | > isolde sim pause |
| 10951 | | |
| 10952 | | > ui tool show "Ramachandran Plot" |
| 10953 | | |
| 10954 | | [Repeated 1 time(s)] |
| 10955 | | |
| 10956 | | > isolde sim resume |
| 10957 | | |
| 10958 | | > isolde pepflip sel |
| 10959 | | |
| 10960 | | Flipping the peptide bond for 1 residues |
| 10961 | | |
| 10962 | | > isolde pepflip sel |
| 10963 | | |
| 10964 | | Flipping the peptide bond for 1 residues |
| 10965 | | |
| 10966 | | > isolde pepflip sel |
| 10967 | | |
| 10968 | | Flipping the peptide bond for 1 residues |
| 10969 | | |
| 10970 | | > isolde sim pause |
| 10971 | | |
| 10972 | | > isolde sim stop |
| 10973 | | |
| 10974 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10975 | | chains... |
| 10976 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 10977 | | standards. |
| 10978 | | ISOLDE: stopped sim |
| 10979 | | |
| 10980 | | > isolde sim start sel |
| 10981 | | |
| 10982 | | ISOLDE: started sim |
| 10983 | | |
| 10984 | | > isolde sim stop |
| 10985 | | |
| 10986 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10987 | | chains... |
| 10988 | | ISOLDE: stopped sim |
| 10989 | | |
| 10990 | | > select #1/t:80|t:75 |
| 10991 | | |
| 10992 | | Expected an objects specifier or a keyword |
| 10993 | | |
| 10994 | | > select #1/t:80|/t:75 |
| 10995 | | |
| 10996 | | 36 atoms, 35 bonds, 2 residues, 1 model selected |
| 10997 | | |
| 10998 | | > isolde sim start sel |
| 10999 | | |
| 11000 | | ISOLDE: started sim |
| 11001 | | |
| 11002 | | > select clear |
| 11003 | | |
| 11004 | | > isolde sim pause |
| 11005 | | |
| 11006 | | > isolde sim resume |
| 11007 | | |
| 11008 | | > isolde pepflip sel |
| 11009 | | |
| 11010 | | Flipping the peptide bond for 1 residues |
| 11011 | | |
| 11012 | | > select clear |
| 11013 | | |
| 11014 | | > isolde pepflip sel |
| 11015 | | |
| 11016 | | Flipping the peptide bond for 1 residues |
| 11017 | | |
| 11018 | | > select clear |
| 11019 | | |
| 11020 | | > ui tool show "Ramachandran Plot" |
| 11021 | | |
| 11022 | | > isolde sim pause |
| 11023 | | |
| 11024 | | > isolde sim resume |
| 11025 | | |
| 11026 | | > select clear |
| 11027 | | |
| 11028 | | [Repeated 1 time(s)] |
| 11029 | | |
| 11030 | | > ui tool show "Ramachandran Plot" |
| 11031 | | |
| 11032 | | > isolde sim stop |
| 11033 | | |
| 11034 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11035 | | chains... |
| 11036 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 11037 | | standards. |
| 11038 | | ISOLDE: stopped sim |
| 11039 | | |
| 11040 | | > view #1/t:80 |
| 11041 | | |
| 11042 | | > select #1/t:80 |
| 11043 | | |
| 11044 | | 14 atoms, 14 bonds, 1 residue, 1 model selected |
| 11045 | | |
| 11046 | | > isolde sim start sel |
| 11047 | | |
| 11048 | | ISOLDE: started sim |
| 11049 | | |
| 11050 | | > ui tool show "Ramachandran Plot" |
| 11051 | | |
| 11052 | | > isolde sim stop |
| 11053 | | |
| 11054 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11055 | | chains... |
| 11056 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 11057 | | standards. |
| 11058 | | ISOLDE: stopped sim |
| 11059 | | |
| 11060 | | > view #1/t:100 |
| 11061 | | |
| 11062 | | > select #1/t:100 |
| 11063 | | |
| 11064 | | 16 atoms, 15 bonds, 1 residue, 1 model selected |
| 11065 | | |
| 11066 | | > isolde sim start sel |
| 11067 | | |
| 11068 | | ISOLDE: started sim |
| 11069 | | |
| 11070 | | > ui tool show "Ramachandran Plot" |
| 11071 | | |
| 11072 | | > isolde sim stop |
| 11073 | | |
| 11074 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11075 | | chains... |
| 11076 | | ISOLDE: stopped sim |
| 11077 | | |
| 11078 | | > view #1/t:107-111 |
| 11079 | | |
| 11080 | | > select #1/t:107-111 |
| 11081 | | |
| 11082 | | 85 atoms, 85 bonds, 5 residues, 1 model selected |
| 11083 | | |
| 11084 | | > isolde sim start sel |
| 11085 | | |
| 11086 | | ISOLDE: started sim |
| 11087 | | |
| 11088 | | > ui tool show "Ramachandran Plot" |
| 11089 | | |
| 11090 | | > isolde sim stop |
| 11091 | | |
| 11092 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11093 | | chains... |
| 11094 | | ISOLDE: stopped sim |
| 11095 | | |
| 11096 | | > view #1/t:127-131 |
| 11097 | | |
| 11098 | | > select #1/t:127-131 |
| 11099 | | |
| 11100 | | 85 atoms, 85 bonds, 5 residues, 1 model selected |
| 11101 | | |
| 11102 | | > isolde sim start sel |
| 11103 | | |
| 11104 | | ISOLDE: started sim |
| 11105 | | |
| 11106 | | > ui tool show "Ramachandran Plot" |
| 11107 | | |
| 11108 | | > isolde sim stop |
| 11109 | | |
| 11110 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11111 | | chains... |
| 11112 | | ISOLDE: stopped sim |
| 11113 | | |
| 11114 | | > view #1/u:115-116 |
| 11115 | | |
| 11116 | | > select #1/u:115-116 |
| 11117 | | |
| 11118 | | 43 atoms, 42 bonds, 2 residues, 1 model selected |
| 11119 | | |
| 11120 | | > isolde sim start sel |
| 11121 | | |
| 11122 | | ISOLDE: started sim |
| 11123 | | |
| 11124 | | > ui tool show "Ramachandran Plot" |
| 11125 | | |
| 11126 | | > isolde sim pause |
| 11127 | | |
| 11128 | | > isolde sim resume |
| 11129 | | |
| 11130 | | > ui tool show "Ramachandran Plot" |
| 11131 | | |
| 11132 | | > isolde sim stop |
| 11133 | | |
| 11134 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11135 | | chains... |
| 11136 | | ISOLDE: stopped sim |
| 11137 | | |
| 11138 | | > view #1/u:100-109 |
| 11139 | | |
| 11140 | | > select #1/u:100-109 |
| 11141 | | |
| 11142 | | 161 atoms, 160 bonds, 10 residues, 1 model selected |
| 11143 | | |
| 11144 | | > isolde sim start sel |
| 11145 | | |
| 11146 | | ISOLDE: started sim |
| 11147 | | |
| 11148 | | > ui tool show "Ramachandran Plot" |
| 11149 | | |
| 11150 | | [Repeated 1 time(s)] |
| 11151 | | |
| 11152 | | > isolde sim stop |
| 11153 | | |
| 11154 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11155 | | chains... |
| 11156 | | ISOLDE: stopped sim |
| 11157 | | |
| 11158 | | > select clear |
| 11159 | | |
| 11160 | | > view #1/u:101 |
| 11161 | | |
| 11162 | | [Repeated 1 time(s)] |
| 11163 | | |
| 11164 | | > select #1/u:101 |
| 11165 | | |
| 11166 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 11167 | | |
| 11168 | | > isolde sim start sel |
| 11169 | | |
| 11170 | | ISOLDE: started sim |
| 11171 | | |
| 11172 | | > ui tool show "Ramachandran Plot" |
| 11173 | | |
| 11174 | | > isolde sim stop |
| 11175 | | |
| 11176 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11177 | | chains... |
| 11178 | | ISOLDE: stopped sim |
| 11179 | | |
| 11180 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 11181 | | > mut8-no-C-ter/20-5-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 11182 | | > step20-5.cxs |
| 11183 | | |
| 11184 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 11185 | | |
| 11186 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 11187 | | > mut8-no-C-ter/20-5-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 11188 | | > step20-5.pdb |
| 11189 | | |
| 11190 | | > isolde sim start sel |
| 11191 | | |
| 11192 | | ISOLDE: started sim |
| 11193 | | |
| 11194 | | > ui tool show "Ramachandran Plot" |
| 11195 | | |
| 11196 | | > isolde sim stop |
| 11197 | | |
| 11198 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11199 | | chains... |
| 11200 | | ISOLDE: stopped sim |
| 11201 | | |
| 11202 | | > isolde sim start sel |
| 11203 | | |
| 11204 | | ISOLDE: started sim |
| 11205 | | |
| 11206 | | > ui tool show "Ramachandran Plot" |
| 11207 | | |
| 11208 | | > isolde sim stop |
| 11209 | | |
| 11210 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11211 | | chains... |
| 11212 | | ISOLDE: stopped sim |
| 11213 | | |
| 11214 | | > isolde sim start sel |
| 11215 | | |
| 11216 | | ISOLDE: started sim |
| 11217 | | |
| 11218 | | > ui tool show "Ramachandran Plot" |
| 11219 | | |
| 11220 | | > isolde sim stop |
| 11221 | | |
| 11222 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11223 | | chains... |
| 11224 | | ISOLDE: stopped sim |
| 11225 | | |
| 11226 | | > isolde sim start sel |
| 11227 | | |
| 11228 | | ISOLDE: started sim |
| 11229 | | |
| 11230 | | > ui tool show "Ramachandran Plot" |
| 11231 | | |
| 11232 | | > select clear |
| 11233 | | |
| 11234 | | > isolde sim stop |
| 11235 | | |
| 11236 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11237 | | chains... |
| 11238 | | ISOLDE: stopped sim |
| 11239 | | |
| 11240 | | > isolde sim start sel |
| 11241 | | |
| 11242 | | ISOLDE: started sim |
| 11243 | | |
| 11244 | | > ui tool show "Ramachandran Plot" |
| 11245 | | |
| 11246 | | > isolde sim stop |
| 11247 | | |
| 11248 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11249 | | chains... |
| 11250 | | ISOLDE: stopped sim |
| 11251 | | |
| 11252 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 11253 | | > mut8-no-C-ter/20-6-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 11254 | | > step20-6-fixedNewTwistedBonds.pdb |
| 11255 | | |
| 11256 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 11257 | | > mut8-no-C-ter/20-6-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 11258 | | > step20-6-fixedNewTwistedBonds.cxs |
| 11259 | | |
| 11260 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 11261 | | |
| 11262 | | > ui tool show "Ramachandran Plot" |
| 11263 | | |
| 11264 | | [Repeated 1 time(s)] |
| 11265 | | |
| 11266 | | > isolde sim start sel |
| 11267 | | |
| 11268 | | ISOLDE: started sim |
| 11269 | | |
| 11270 | | > isolde pepflip sel |
| 11271 | | |
| 11272 | | Flipping the peptide bond for 1 residues |
| 11273 | | |
| 11274 | | > isolde pepflip sel |
| 11275 | | |
| 11276 | | Flipping the peptide bond for 1 residues |
| 11277 | | |
| 11278 | | > ui tool show "Ramachandran Plot" |
| 11279 | | |
| 11280 | | [Repeated 1 time(s)] |
| 11281 | | |
| 11282 | | > isolde sim stop |
| 11283 | | |
| 11284 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11285 | | chains... |
| 11286 | | ISOLDE: stopped sim |
| 11287 | | |
| 11288 | | > ui tool show "Ramachandran Plot" |
| 11289 | | |
| 11290 | | > isolde sim start sel |
| 11291 | | |
| 11292 | | ISOLDE: started sim |
| 11293 | | |
| 11294 | | > ui tool show "Ramachandran Plot" |
| 11295 | | |
| 11296 | | > select clear |
| 11297 | | |
| 11298 | | > isolde pepflip sel |
| 11299 | | |
| 11300 | | Flipping the peptide bond for 1 residues |
| 11301 | | |
| 11302 | | > ui tool show "Ramachandran Plot" |
| 11303 | | |
| 11304 | | > isolde sim stop |
| 11305 | | |
| 11306 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11307 | | chains... |
| 11308 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 11309 | | standards. |
| 11310 | | ISOLDE: stopped sim |
| 11311 | | |
| 11312 | | > ui tool show "Ramachandran Plot" |
| 11313 | | |
| 11314 | | > isolde sim start sel |
| 11315 | | |
| 11316 | | ISOLDE: started sim |
| 11317 | | |
| 11318 | | > isolde pepflip sel |
| 11319 | | |
| 11320 | | Flipping the peptide bond for 1 residues |
| 11321 | | |
| 11322 | | > ui tool show "Ramachandran Plot" |
| 11323 | | |
| 11324 | | > view #1/f:43 |
| 11325 | | |
| 11326 | | > ui tool show "Ramachandran Plot" |
| 11327 | | |
| 11328 | | > isolde sim stop |
| 11329 | | |
| 11330 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11331 | | chains... |
| 11332 | | ISOLDE: stopped sim |
| 11333 | | |
| 11334 | | > ui tool show "Ramachandran Plot" |
| 11335 | | |
| 11336 | | > isolde sim start sel |
| 11337 | | |
| 11338 | | ISOLDE: started sim |
| 11339 | | |
| 11340 | | > isolde pepflip sel |
| 11341 | | |
| 11342 | | Flipping the peptide bond for 1 residues |
| 11343 | | |
| 11344 | | > ui tool show "Ramachandran Plot" |
| 11345 | | |
| 11346 | | > select clear |
| 11347 | | |
| 11348 | | > ui tool show "Ramachandran Plot" |
| 11349 | | |
| 11350 | | > isolde sim stop |
| 11351 | | |
| 11352 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11353 | | chains... |
| 11354 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 11355 | | standards. |
| 11356 | | ISOLDE: stopped sim |
| 11357 | | |
| 11358 | | > ui tool show "Ramachandran Plot" |
| 11359 | | |
| 11360 | | > hide #!1.2 models |
| 11361 | | |
| 11362 | | > show #!1.2 models |
| 11363 | | |
| 11364 | | > hide #!1.2 models |
| 11365 | | |
| 11366 | | > show #!1.2 models |
| 11367 | | |
| 11368 | | > hide #!1.2 models |
| 11369 | | |
| 11370 | | > show #!1.2 models |
| 11371 | | |
| 11372 | | > hide #!1.1 models |
| 11373 | | |
| 11374 | | > show #!1.1 models |
| 11375 | | |
| 11376 | | > hide #!1.2 models |
| 11377 | | |
| 11378 | | > show #!1.2 models |
| 11379 | | |
| 11380 | | > hide #!1.2 models |
| 11381 | | |
| 11382 | | > show #!1.2 models |
| 11383 | | |
| 11384 | | > ui tool show "Ramachandran Plot" |
| 11385 | | |
| 11386 | | > isolde sim start sel |
| 11387 | | |
| 11388 | | ISOLDE: started sim |
| 11389 | | |
| 11390 | | > ui tool show "Ramachandran Plot" |
| 11391 | | |
| 11392 | | > isolde pepflip sel |
| 11393 | | |
| 11394 | | Flipping the peptide bond for 1 residues |
| 11395 | | |
| 11396 | | > select clear |
| 11397 | | |
| 11398 | | > ui tool show "Ramachandran Plot" |
| 11399 | | |
| 11400 | | > isolde sim stop |
| 11401 | | |
| 11402 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11403 | | chains... |
| 11404 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 11405 | | standards. |
| 11406 | | ISOLDE: stopped sim |
| 11407 | | |
| 11408 | | > ui tool show "Ramachandran Plot" |
| 11409 | | |
| 11410 | | > isolde sim start sel |
| 11411 | | |
| 11412 | | ISOLDE: started sim |
| 11413 | | |
| 11414 | | > isolde pepflip sel |
| 11415 | | |
| 11416 | | Flipping the peptide bond for 1 residues |
| 11417 | | |
| 11418 | | > ui tool show "Ramachandran Plot" |
| 11419 | | |
| 11420 | | > isolde sim pause |
| 11421 | | |
| 11422 | | > isolde sim resume |
| 11423 | | |
| 11424 | | > isolde sim stop |
| 11425 | | |
| 11426 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11427 | | chains... |
| 11428 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 11429 | | standards. |
| 11430 | | ISOLDE: stopped sim |
| 11431 | | |
| 11432 | | > ui tool show "Ramachandran Plot" |
| 11433 | | |
| 11434 | | > isolde sim start sel |
| 11435 | | |
| 11436 | | ISOLDE: started sim |
| 11437 | | |
| 11438 | | > isolde pepflip sel |
| 11439 | | |
| 11440 | | Flipping the peptide bond for 1 residues |
| 11441 | | |
| 11442 | | > ui tool show "Ramachandran Plot" |
| 11443 | | |
| 11444 | | > isolde sim pause |
| 11445 | | |
| 11446 | | > ui tool show "Ramachandran Plot" |
| 11447 | | |
| 11448 | | > isolde sim stop |
| 11449 | | |
| 11450 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11451 | | chains... |
| 11452 | | ISOLDE: stopped sim |
| 11453 | | |
| 11454 | | > isolde sim start sel |
| 11455 | | |
| 11456 | | ISOLDE: started sim |
| 11457 | | |
| 11458 | | > isolde pepflip sel |
| 11459 | | |
| 11460 | | Flipping the peptide bond for 1 residues |
| 11461 | | |
| 11462 | | > isolde pepflip sel |
| 11463 | | |
| 11464 | | Flipping the peptide bond for 1 residues |
| 11465 | | |
| 11466 | | > isolde pepflip sel |
| 11467 | | |
| 11468 | | Flipping the peptide bond for 1 residues |
| 11469 | | |
| 11470 | | > ui tool show "Ramachandran Plot" |
| 11471 | | |
| 11472 | | > select clear |
| 11473 | | |
| 11474 | | > ui tool show "Ramachandran Plot" |
| 11475 | | |
| 11476 | | > isolde sim pause |
| 11477 | | |
| 11478 | | > ui tool show "Ramachandran Plot" |
| 11479 | | |
| 11480 | | > isolde sim resume |
| 11481 | | |
| 11482 | | > isolde sim stop |
| 11483 | | |
| 11484 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11485 | | chains... |
| 11486 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 11487 | | standards. |
| 11488 | | ISOLDE: stopped sim |
| 11489 | | |
| 11490 | | > isolde sim start sel |
| 11491 | | |
| 11492 | | ISOLDE: started sim |
| 11493 | | |
| 11494 | | > select clear |
| 11495 | | |
| 11496 | | [Repeated 2 time(s)] |
| 11497 | | |
| 11498 | | > ui tool show "Ramachandran Plot" |
| 11499 | | |
| 11500 | | > isolde sim pause |
| 11501 | | |
| 11502 | | > select clear |
| 11503 | | |
| 11504 | | > ui tool show "Ramachandran Plot" |
| 11505 | | |
| 11506 | | > isolde sim stop |
| 11507 | | |
| 11508 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11509 | | chains... |
| 11510 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 11511 | | standards. |
| 11512 | | ISOLDE: stopped sim |
| 11513 | | |
| 11514 | | > isolde sim start sel |
| 11515 | | |
| 11516 | | ISOLDE: started sim |
| 11517 | | |
| 11518 | | > ui tool show "Ramachandran Plot" |
| 11519 | | |
| 11520 | | > isolde sim pause |
| 11521 | | |
| 11522 | | > isolde sim resume |
| 11523 | | |
| 11524 | | > select clear |
| 11525 | | |
| 11526 | | > ui tool show "Ramachandran Plot" |
| 11527 | | |
| 11528 | | > isolde sim stop |
| 11529 | | |
| 11530 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11531 | | chains... |
| 11532 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 11533 | | standards. |
| 11534 | | ISOLDE: stopped sim |
| 11535 | | |
| 11536 | | > view #1/k:137 |
| 11537 | | |
| 11538 | | > select #1/k:137 |
| 11539 | | |
| 11540 | | 17 atoms, 16 bonds, 1 residue, 1 model selected |
| 11541 | | |
| 11542 | | > isolde sim start sel |
| 11543 | | |
| 11544 | | ISOLDE: started sim |
| 11545 | | |
| 11546 | | > ui tool show "Ramachandran Plot" |
| 11547 | | |
| 11548 | | > isolde sim stop |
| 11549 | | |
| 11550 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11551 | | chains... |
| 11552 | | ISOLDE: stopped sim |
| 11553 | | |
| 11554 | | > view #1/k:142 |
| 11555 | | |
| 11556 | | > select #1/k:142 |
| 11557 | | |
| 11558 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 11559 | | |
| 11560 | | > isolde sim start sel |
| 11561 | | |
| 11562 | | ISOLDE: started sim |
| 11563 | | |
| 11564 | | > ui tool show "Ramachandran Plot" |
| 11565 | | |
| 11566 | | > isolde sim stop |
| 11567 | | |
| 11568 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11569 | | chains... |
| 11570 | | ISOLDE: stopped sim |
| 11571 | | |
| 11572 | | > view #1/k:149 |
| 11573 | | |
| 11574 | | > select #1/k:149 |
| 11575 | | |
| 11576 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 11577 | | |
| 11578 | | > isolde sim start sel |
| 11579 | | |
| 11580 | | ISOLDE: started sim |
| 11581 | | |
| 11582 | | > ui tool show "Ramachandran Plot" |
| 11583 | | |
| 11584 | | > isolde sim stop |
| 11585 | | |
| 11586 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11587 | | chains... |
| 11588 | | ISOLDE: stopped sim |
| 11589 | | |
| 11590 | | > ui tool show "Ramachandran Plot" |
| 11591 | | |
| 11592 | | > isolde sim start sel |
| 11593 | | |
| 11594 | | ISOLDE: started sim |
| 11595 | | |
| 11596 | | > ui tool show "Ramachandran Plot" |
| 11597 | | |
| 11598 | | > isolde pepflip sel |
| 11599 | | |
| 11600 | | Flipping the peptide bond for 1 residues |
| 11601 | | |
| 11602 | | > isolde pepflip sel |
| 11603 | | |
| 11604 | | Flipping the peptide bond for 1 residues |
| 11605 | | |
| 11606 | | > isolde pepflip sel |
| 11607 | | |
| 11608 | | Flipping the peptide bond for 1 residues |
| 11609 | | |
| 11610 | | > isolde pepflip sel |
| 11611 | | |
| 11612 | | Flipping the peptide bond for 1 residues |
| 11613 | | |
| 11614 | | > ui tool show "Ramachandran Plot" |
| 11615 | | |
| 11616 | | > isolde sim pause |
| 11617 | | |
| 11618 | | > isolde sim resume |
| 11619 | | |
| 11620 | | > isolde pepflip sel |
| 11621 | | |
| 11622 | | Flipping the peptide bond for 1 residues |
| 11623 | | |
| 11624 | | > isolde pepflip sel |
| 11625 | | |
| 11626 | | Flipping the peptide bond for 1 residues |
| 11627 | | |
| 11628 | | > isolde pepflip sel |
| 11629 | | |
| 11630 | | Flipping the peptide bond for 1 residues |
| 11631 | | |
| 11632 | | > select clear |
| 11633 | | |
| 11634 | | [Repeated 2 time(s)] |
| 11635 | | |
| 11636 | | > isolde sim pause |
| 11637 | | |
| 11638 | | > isolde sim resume |
| 11639 | | |
| 11640 | | > select clear |
| 11641 | | |
| 11642 | | [Repeated 1 time(s)] |
| 11643 | | |
| 11644 | | > isolde sim pause |
| 11645 | | |
| 11646 | | > isolde sim resume |
| 11647 | | |
| 11648 | | > ui tool show "Ramachandran Plot" |
| 11649 | | |
| 11650 | | > isolde sim stop |
| 11651 | | |
| 11652 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11653 | | chains... |
| 11654 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 11655 | | standards. |
| 11656 | | ISOLDE: stopped sim |
| 11657 | | |
| 11658 | | > isolde sim start sel |
| 11659 | | |
| 11660 | | ISOLDE: started sim |
| 11661 | | |
| 11662 | | > ui tool show "Ramachandran Plot" |
| 11663 | | |
| 11664 | | > isolde sim pause |
| 11665 | | |
| 11666 | | > ui tool show "Ramachandran Plot" |
| 11667 | | |
| 11668 | | > isolde sim stop |
| 11669 | | |
| 11670 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11671 | | chains... |
| 11672 | | ISOLDE: stopped sim |
| 11673 | | |
| 11674 | | > isolde sim start sel |
| 11675 | | |
| 11676 | | ISOLDE: started sim |
| 11677 | | |
| 11678 | | > ui tool show "Ramachandran Plot" |
| 11679 | | |
| 11680 | | > isolde pepflip sel |
| 11681 | | |
| 11682 | | Flipping the peptide bond for 1 residues |
| 11683 | | |
| 11684 | | > ui tool show "Ramachandran Plot" |
| 11685 | | |
| 11686 | | > isolde pepflip sel |
| 11687 | | |
| 11688 | | Flipping the peptide bond for 1 residues |
| 11689 | | |
| 11690 | | > select clear |
| 11691 | | |
| 11692 | | > ui tool show "Ramachandran Plot" |
| 11693 | | |
| 11694 | | > isolde sim stop |
| 11695 | | |
| 11696 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11697 | | chains... |
| 11698 | | ISOLDE: stopped sim |
| 11699 | | |
| 11700 | | > view #1/Z:116 |
| 11701 | | |
| 11702 | | > select #1/Z:116 |
| 11703 | | |
| 11704 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 11705 | | |
| 11706 | | > isolde sim start sel |
| 11707 | | |
| 11708 | | ISOLDE: started sim |
| 11709 | | |
| 11710 | | > ui tool show "Ramachandran Plot" |
| 11711 | | |
| 11712 | | > isolde sim stop |
| 11713 | | |
| 11714 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11715 | | chains... |
| 11716 | | ISOLDE: stopped sim |
| 11717 | | |
| 11718 | | > view #1/Z:69 |
| 11719 | | |
| 11720 | | > select #1/Z:69 |
| 11721 | | |
| 11722 | | 14 atoms, 13 bonds, 1 residue, 1 model selected |
| 11723 | | |
| 11724 | | > isolde sim start sel |
| 11725 | | |
| 11726 | | ISOLDE: started sim |
| 11727 | | |
| 11728 | | > ui tool show "Ramachandran Plot" |
| 11729 | | |
| 11730 | | > isolde sim stop |
| 11731 | | |
| 11732 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11733 | | chains... |
| 11734 | | ISOLDE: stopped sim |
| 11735 | | |
| 11736 | | > ui tool show "Ramachandran Plot" |
| 11737 | | |
| 11738 | | > isolde sim start sel |
| 11739 | | |
| 11740 | | ISOLDE: started sim |
| 11741 | | |
| 11742 | | > ui tool show "Ramachandran Plot" |
| 11743 | | |
| 11744 | | [Repeated 1 time(s)] |
| 11745 | | |
| 11746 | | > isolde sim stop |
| 11747 | | |
| 11748 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11749 | | chains... |
| 11750 | | ISOLDE: stopped sim |
| 11751 | | |
| 11752 | | > ui tool show "Ramachandran Plot" |
| 11753 | | |
| 11754 | | > isolde sim start sel |
| 11755 | | |
| 11756 | | ISOLDE: started sim |
| 11757 | | |
| 11758 | | > ui tool show "Ramachandran Plot" |
| 11759 | | |
| 11760 | | > isolde sim pause |
| 11761 | | |
| 11762 | | > ui tool show "Ramachandran Plot" |
| 11763 | | |
| 11764 | | [Repeated 1 time(s)] |
| 11765 | | |
| 11766 | | > isolde sim resume |
| 11767 | | |
| 11768 | | > isolde pepflip sel |
| 11769 | | |
| 11770 | | Flipping the peptide bond for 1 residues |
| 11771 | | |
| 11772 | | > isolde pepflip sel |
| 11773 | | |
| 11774 | | Flipping the peptide bond for 1 residues |
| 11775 | | |
| 11776 | | > isolde pepflip sel |
| 11777 | | |
| 11778 | | Flipping the peptide bond for 1 residues |
| 11779 | | |
| 11780 | | > isolde pepflip sel |
| 11781 | | |
| 11782 | | Flipping the peptide bond for 1 residues |
| 11783 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 11784 | | [Repeated 1 time(s)] |
| 11785 | | |
| 11786 | | > isolde pepflip sel |
| 11787 | | |
| 11788 | | Flipping the peptide bond for 1 residues |
| 11789 | | |
| 11790 | | > isolde pepflip sel |
| 11791 | | |
| 11792 | | Flipping the peptide bond for 1 residues |
| 11793 | | |
| 11794 | | > isolde sim stop |
| 11795 | | |
| 11796 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11797 | | chains... |
| 11798 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 11799 | | standards. |
| 11800 | | ISOLDE: stopped sim |
| 11801 | | |
| 11802 | | > select #1/W:111-113 |
| 11803 | | |
| 11804 | | 61 atoms, 61 bonds, 3 residues, 1 model selected |
| 11805 | | |
| 11806 | | > isolde sim start sel |
| 11807 | | |
| 11808 | | ISOLDE: started sim |
| 11809 | | |
| 11810 | | > isolde pepflip sel |
| 11811 | | |
| 11812 | | Flipping the peptide bond for 1 residues |
| 11813 | | |
| 11814 | | > select clear |
| 11815 | | |
| 11816 | | > ui tool show "Ramachandran Plot" |
| 11817 | | |
| 11818 | | > isolde sim stop |
| 11819 | | |
| 11820 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11821 | | chains... |
| 11822 | | ISOLDE: stopped sim |
| 11823 | | |
| 11824 | | > select #1/W:119 |
| 11825 | | |
| 11826 | | 24 atoms, 25 bonds, 1 residue, 1 model selected |
| 11827 | | |
| 11828 | | > view #1/W:119 |
| 11829 | | |
| 11830 | | > isolde sim start sel |
| 11831 | | |
| 11832 | | ISOLDE: started sim |
| 11833 | | |
| 11834 | | > ui tool show "Ramachandran Plot" |
| 11835 | | |
| 11836 | | [Repeated 1 time(s)] |
| 11837 | | |
| 11838 | | > isolde sim pause |
| 11839 | | |
| 11840 | | > isolde sim stop |
| 11841 | | |
| 11842 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11843 | | chains... |
| 11844 | | ISOLDE: stopped sim |
| 11845 | | |
| 11846 | | > isolde sim start sel |
| 11847 | | |
| 11848 | | ISOLDE: started sim |
| 11849 | | |
| 11850 | | > ui tool show "Ramachandran Plot" |
| 11851 | | |
| 11852 | | > isolde sim stop |
| 11853 | | |
| 11854 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11855 | | chains... |
| 11856 | | ISOLDE: stopped sim |
| 11857 | | |
| 11858 | | > view #1/W:119 |
| 11859 | | |
| 11860 | | > select #1/W:119 |
| 11861 | | |
| 11862 | | 24 atoms, 25 bonds, 1 residue, 1 model selected |
| 11863 | | |
| 11864 | | > isolde sim start sel |
| 11865 | | |
| 11866 | | ISOLDE: started sim |
| 11867 | | |
| 11868 | | > ui tool show "Ramachandran Plot" |
| 11869 | | |
| 11870 | | > isolde sim stop |
| 11871 | | |
| 11872 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11873 | | chains... |
| 11874 | | ISOLDE: stopped sim |
| 11875 | | |
| 11876 | | > ui tool show "Ramachandran Plot" |
| 11877 | | |
| 11878 | | > isolde sim start sel |
| 11879 | | |
| 11880 | | ISOLDE: started sim |
| 11881 | | |
| 11882 | | > isolde pepflip sel |
| 11883 | | |
| 11884 | | Flipping the peptide bond for 1 residues |
| 11885 | | |
| 11886 | | > isolde pepflip sel |
| 11887 | | |
| 11888 | | Flipping the peptide bond for 1 residues |
| 11889 | | |
| 11890 | | > isolde sim pause |
| 11891 | | |
| 11892 | | > isolde sim resume |
| 11893 | | |
| 11894 | | > isolde sim pause |
| 11895 | | |
| 11896 | | > isolde sim resume |
| 11897 | | |
| 11898 | | > isolde sim pause |
| 11899 | | |
| 11900 | | > ui tool show "Ramachandran Plot" |
| 11901 | | |
| 11902 | | > ui tool show "Build Structure" |
| 11903 | | |
| 11904 | | > isolde sim resume |
| 11905 | | |
| 11906 | | > ui tool show "Ramachandran Plot" |
| 11907 | | |
| 11908 | | > isolde sim stop |
| 11909 | | |
| 11910 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11911 | | chains... |
| 11912 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 11913 | | standards. |
| 11914 | | ISOLDE: stopped sim |
| 11915 | | |
| 11916 | | > isolde sim start sel |
| 11917 | | |
| 11918 | | ISOLDE: started sim |
| 11919 | | |
| 11920 | | > ui tool show "Ramachandran Plot" |
| 11921 | | |
| 11922 | | > isolde sim stop |
| 11923 | | |
| 11924 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11925 | | chains... |
| 11926 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 11927 | | standards. |
| 11928 | | ISOLDE: stopped sim |
| 11929 | | |
| 11930 | | > select #1/f:9 |
| 11931 | | |
| 11932 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 11933 | | |
| 11934 | | > view #1/f:9 |
| 11935 | | |
| 11936 | | > isolde sim start sel |
| 11937 | | |
| 11938 | | ISOLDE: started sim |
| 11939 | | |
| 11940 | | > isolde sim stop |
| 11941 | | |
| 11942 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11943 | | chains... |
| 11944 | | ISOLDE: stopped sim |
| 11945 | | |
| 11946 | | > view #1/f:9 |
| 11947 | | |
| 11948 | | > select #1/f:9 |
| 11949 | | |
| 11950 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 11951 | | |
| 11952 | | > isolde sim start sel |
| 11953 | | |
| 11954 | | ISOLDE: started sim |
| 11955 | | |
| 11956 | | > ui tool show "Ramachandran Plot" |
| 11957 | | |
| 11958 | | > select clear |
| 11959 | | |
| 11960 | | > isolde sim stop |
| 11961 | | |
| 11962 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 11963 | | chains... |
| 11964 | | ISOLDE: stopped sim |
| 11965 | | |
| 11966 | | > isolde sim start sel |
| 11967 | | |
| 11968 | | ISOLDE: started sim |
| 11969 | | |
| 11970 | | > ui tool show "Ramachandran Plot" |
| 11971 | | |
| 11972 | | > isolde pepflip sel |
| 11973 | | |
| 11974 | | Flipping the peptide bond for 1 residues |
| 11975 | | |
| 11976 | | > ui tool show "Ramachandran Plot" |
| 11977 | | |
| 11978 | | > isolde pepflip sel |
| 11979 | | |
| 11980 | | Flipping the peptide bond for 1 residues |
| 11981 | | |
| 11982 | | > ui tool show "Ramachandran Plot" |
| 11983 | | |
| 11984 | | > isolde pepflip sel |
| 11985 | | |
| 11986 | | Flipping the peptide bond for 1 residues |
| 11987 | | |
| 11988 | | > select clear |
| 11989 | | |
| 11990 | | [Repeated 1 time(s)] |
| 11991 | | |
| 11992 | | > isolde pepflip sel |
| 11993 | | |
| 11994 | | Flipping the peptide bond for 1 residues |
| 11995 | | |
| 11996 | | > isolde pepflip sel |
| 11997 | | |
| 11998 | | Flipping the peptide bond for 1 residues |
| 11999 | | |
| 12000 | | > isolde pepflip sel |
| 12001 | | |
| 12002 | | Flipping the peptide bond for 1 residues |
| 12003 | | |
| 12004 | | > select clear |
| 12005 | | |
| 12006 | | > isolde pepflip sel |
| 12007 | | |
| 12008 | | Flipping the peptide bond for 1 residues |
| 12009 | | |
| 12010 | | > isolde pepflip sel |
| 12011 | | |
| 12012 | | Flipping the peptide bond for 1 residues |
| 12013 | | |
| 12014 | | > isolde pepflip sel |
| 12015 | | |
| 12016 | | Flipping the peptide bond for 1 residues |
| 12017 | | |
| 12018 | | > ui tool show "Ramachandran Plot" |
| 12019 | | |
| 12020 | | > select clear |
| 12021 | | |
| 12022 | | > ui tool show "Ramachandran Plot" |
| 12023 | | |
| 12024 | | > isolde sim pause |
| 12025 | | |
| 12026 | | > view #1/O:69 |
| 12027 | | |
| 12028 | | > ui tool show "Ramachandran Plot" |
| 12029 | | |
| 12030 | | > isolde sim stop |
| 12031 | | |
| 12032 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12033 | | chains... |
| 12034 | | ISOLDE: stopped sim |
| 12035 | | |
| 12036 | | > view #1/f:9 |
| 12037 | | |
| 12038 | | > select #1/f:9 |
| 12039 | | |
| 12040 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 12041 | | |
| 12042 | | > isolde sim start sel |
| 12043 | | |
| 12044 | | ISOLDE: started sim |
| 12045 | | |
| 12046 | | > ui tool show "Ramachandran Plot" |
| 12047 | | |
| 12048 | | > isolde sim stop |
| 12049 | | |
| 12050 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12051 | | chains... |
| 12052 | | ISOLDE: stopped sim |
| 12053 | | |
| 12054 | | > ui tool show "Ramachandran Plot" |
| 12055 | | |
| 12056 | | > isolde sim start sel |
| 12057 | | |
| 12058 | | ISOLDE: started sim |
| 12059 | | |
| 12060 | | > ui tool show "Ramachandran Plot" |
| 12061 | | |
| 12062 | | > isolde sim pause |
| 12063 | | |
| 12064 | | > isolde sim stop |
| 12065 | | |
| 12066 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12067 | | chains... |
| 12068 | | ISOLDE: stopped sim |
| 12069 | | |
| 12070 | | > isolde sim start sel |
| 12071 | | |
| 12072 | | ISOLDE: started sim |
| 12073 | | |
| 12074 | | > select clear |
| 12075 | | |
| 12076 | | > ui tool show "Ramachandran Plot" |
| 12077 | | |
| 12078 | | > isolde sim stop |
| 12079 | | |
| 12080 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12081 | | chains... |
| 12082 | | ISOLDE: stopped sim |
| 12083 | | |
| 12084 | | > view #1/W:159 |
| 12085 | | |
| 12086 | | > select #1/W:159 |
| 12087 | | |
| 12088 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 12089 | | |
| 12090 | | > isolde sim start sel |
| 12091 | | |
| 12092 | | ISOLDE: started sim |
| 12093 | | |
| 12094 | | > ui tool show "Ramachandran Plot" |
| 12095 | | |
| 12096 | | > isolde sim stop |
| 12097 | | |
| 12098 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12099 | | chains... |
| 12100 | | ISOLDE: stopped sim |
| 12101 | | |
| 12102 | | > ui tool show "Ramachandran Plot" |
| 12103 | | |
| 12104 | | > isolde sim start sel |
| 12105 | | |
| 12106 | | ISOLDE: started sim |
| 12107 | | |
| 12108 | | > ui tool show "Ramachandran Plot" |
| 12109 | | |
| 12110 | | > isolde sim pause |
| 12111 | | |
| 12112 | | > ui tool show "Ramachandran Plot" |
| 12113 | | |
| 12114 | | [Repeated 1 time(s)] |
| 12115 | | |
| 12116 | | > isolde sim resume |
| 12117 | | |
| 12118 | | > select clear |
| 12119 | | |
| 12120 | | > isolde sim pause |
| 12121 | | |
| 12122 | | > isolde sim resume |
| 12123 | | |
| 12124 | | > ui tool show "Ramachandran Plot" |
| 12125 | | |
| 12126 | | Traceback (most recent call last): |
| 12127 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12128 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 12129 | | func(*args, **kwargs) |
| 12130 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 12131 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 12132 | | on_resize |
| 12133 | | c.draw() |
| 12134 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12135 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 12136 | | self.figure.draw(self.renderer) |
| 12137 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12138 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 12139 | | result = draw(artist, renderer, *args, **kwargs) |
| 12140 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12141 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 12142 | | return draw(artist, renderer) |
| 12143 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12144 | | packages/matplotlib/figure.py", line 2796, in draw |
| 12145 | | artists = self._get_draw_artists(renderer) |
| 12146 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12147 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 12148 | | ax.apply_aspect() |
| 12149 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12150 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 12151 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 12152 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12153 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 12154 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 12155 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 12156 | | |
| 12157 | | > select clear |
| 12158 | | |
| 12159 | | > isolde sim pause |
| 12160 | | |
| 12161 | | > select #1/n:91-94 |
| 12162 | | |
| 12163 | | 55 atoms, 55 bonds, 4 residues, 1 model selected |
| 12164 | | |
| 12165 | | > isolde sim start sel |
| 12166 | | |
| 12167 | | Simulation already running! |
| 12168 | | |
| 12169 | | > isolde sim stop |
| 12170 | | |
| 12171 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12172 | | chains... |
| 12173 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 12174 | | standards. |
| 12175 | | ISOLDE: stopped sim |
| 12176 | | |
| 12177 | | > select #1/n:91-94 |
| 12178 | | |
| 12179 | | 55 atoms, 55 bonds, 4 residues, 1 model selected |
| 12180 | | |
| 12181 | | > isolde sim start sel |
| 12182 | | |
| 12183 | | ISOLDE: started sim |
| 12184 | | |
| 12185 | | > select clear |
| 12186 | | |
| 12187 | | [Repeated 2 time(s)] |
| 12188 | | |
| 12189 | | > ui tool show "Ramachandran Plot" |
| 12190 | | |
| 12191 | | > isolde pepflip sel |
| 12192 | | |
| 12193 | | Flipping the peptide bond for 1 residues |
| 12194 | | |
| 12195 | | > ui tool show "Ramachandran Plot" |
| 12196 | | |
| 12197 | | > isolde pepflip sel |
| 12198 | | |
| 12199 | | Flipping the peptide bond for 1 residues |
| 12200 | | |
| 12201 | | > select clear |
| 12202 | | |
| 12203 | | > isolde pepflip sel |
| 12204 | | |
| 12205 | | Flipping the peptide bond for 1 residues |
| 12206 | | |
| 12207 | | > isolde pepflip sel |
| 12208 | | |
| 12209 | | Flipping the peptide bond for 1 residues |
| 12210 | | |
| 12211 | | > isolde pepflip sel |
| 12212 | | |
| 12213 | | Flipping the peptide bond for 1 residues |
| 12214 | | |
| 12215 | | > select clear |
| 12216 | | |
| 12217 | | > ui tool show "Ramachandran Plot" |
| 12218 | | |
| 12219 | | Traceback (most recent call last): |
| 12220 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12221 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 12222 | | func(*args, **kwargs) |
| 12223 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 12224 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 12225 | | on_resize |
| 12226 | | c.draw() |
| 12227 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12228 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 12229 | | self.figure.draw(self.renderer) |
| 12230 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12231 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 12232 | | result = draw(artist, renderer, *args, **kwargs) |
| 12233 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12234 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 12235 | | return draw(artist, renderer) |
| 12236 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12237 | | packages/matplotlib/figure.py", line 2796, in draw |
| 12238 | | artists = self._get_draw_artists(renderer) |
| 12239 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12240 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 12241 | | ax.apply_aspect() |
| 12242 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12243 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 12244 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 12245 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12246 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 12247 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 12248 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 12249 | | |
| 12250 | | > select clear |
| 12251 | | |
| 12252 | | > ui tool show "Ramachandran Plot" |
| 12253 | | |
| 12254 | | > select clear |
| 12255 | | |
| 12256 | | > ui tool show "Ramachandran Plot" |
| 12257 | | |
| 12258 | | Traceback (most recent call last): |
| 12259 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12260 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 12261 | | func(*args, **kwargs) |
| 12262 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 12263 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 12264 | | on_resize |
| 12265 | | c.draw() |
| 12266 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12267 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 12268 | | self.figure.draw(self.renderer) |
| 12269 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12270 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 12271 | | result = draw(artist, renderer, *args, **kwargs) |
| 12272 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12273 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 12274 | | return draw(artist, renderer) |
| 12275 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12276 | | packages/matplotlib/figure.py", line 2796, in draw |
| 12277 | | artists = self._get_draw_artists(renderer) |
| 12278 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12279 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 12280 | | ax.apply_aspect() |
| 12281 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12282 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 12283 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 12284 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 12285 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 12286 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 12287 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 12288 | | |
| 12289 | | > select clear |
| 12290 | | |
| 12291 | | > ui tool show "Ramachandran Plot" |
| 12292 | | |
| 12293 | | [Repeated 1 time(s)] |
| 12294 | | |
| 12295 | | > isolde sim stop |
| 12296 | | |
| 12297 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12298 | | chains... |
| 12299 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 12300 | | standards. |
| 12301 | | ISOLDE: stopped sim |
| 12302 | | |
| 12303 | | > select #1/n:88 |
| 12304 | | |
| 12305 | | 20 atoms, 20 bonds, 1 residue, 1 model selected |
| 12306 | | |
| 12307 | | > view #1/n:88 |
| 12308 | | |
| 12309 | | > isolde sim start sel |
| 12310 | | |
| 12311 | | ISOLDE: started sim |
| 12312 | | |
| 12313 | | > ui tool show "Ramachandran Plot" |
| 12314 | | |
| 12315 | | > isolde sim stop |
| 12316 | | |
| 12317 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12318 | | chains... |
| 12319 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 12320 | | standards. |
| 12321 | | ISOLDE: stopped sim |
| 12322 | | |
| 12323 | | > select clear |
| 12324 | | |
| 12325 | | > select #1/n:88|/i:40 |
| 12326 | | |
| 12327 | | 36 atoms, 35 bonds, 2 residues, 1 model selected |
| 12328 | | |
| 12329 | | > isolde sim start sel |
| 12330 | | |
| 12331 | | ISOLDE: started sim |
| 12332 | | |
| 12333 | | > select clear |
| 12334 | | |
| 12335 | | [Repeated 2 time(s)] |
| 12336 | | |
| 12337 | | > isolde pepflip sel |
| 12338 | | |
| 12339 | | Flipping the peptide bond for 1 residues |
| 12340 | | |
| 12341 | | > select clear |
| 12342 | | |
| 12343 | | > style #1/i:38-39|/n:86 sphere |
| 12344 | | |
| 12345 | | Changed 60 atom styles |
| 12346 | | |
| 12347 | | > style #1/i:38-39|/n:86|/i:36-40 sphere |
| 12348 | | |
| 12349 | | Changed 109 atom styles |
| 12350 | | |
| 12351 | | > style #1/i:38-39|/n:86|/i:36-40|n:88-90 sphere |
| 12352 | | |
| 12353 | | Expected a keyword |
| 12354 | | |
| 12355 | | > style #1/i:38-39|/n:86|/i:36-40|/n:88-90 sphere |
| 12356 | | |
| 12357 | | Changed 162 atom styles |
| 12358 | | |
| 12359 | | > style #1/i:38-39|/n:86|/i:36-40|/n:88-90 stick |
| 12360 | | |
| 12361 | | Changed 162 atom styles |
| 12362 | | |
| 12363 | | > ui tool show "Ramachandran Plot" |
| 12364 | | |
| 12365 | | > isolde sim stop |
| 12366 | | |
| 12367 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12368 | | chains... |
| 12369 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 12370 | | standards. |
| 12371 | | ISOLDE: stopped sim |
| 12372 | | |
| 12373 | | > select #1/n:88 |
| 12374 | | |
| 12375 | | 20 atoms, 20 bonds, 1 residue, 1 model selected |
| 12376 | | |
| 12377 | | > isolde sim start sel |
| 12378 | | |
| 12379 | | ISOLDE: started sim |
| 12380 | | |
| 12381 | | > ui tool show "Ramachandran Plot" |
| 12382 | | |
| 12383 | | > isolde sim stop |
| 12384 | | |
| 12385 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12386 | | chains... |
| 12387 | | ISOLDE: stopped sim |
| 12388 | | |
| 12389 | | > ui tool show "Ramachandran Plot" |
| 12390 | | |
| 12391 | | > isolde sim start sel |
| 12392 | | |
| 12393 | | ISOLDE: started sim |
| 12394 | | |
| 12395 | | > ui tool show "Ramachandran Plot" |
| 12396 | | |
| 12397 | | > isolde sim pause |
| 12398 | | |
| 12399 | | > isolde sim resume |
| 12400 | | |
| 12401 | | > ui tool show "Ramachandran Plot" |
| 12402 | | |
| 12403 | | > select clear |
| 12404 | | |
| 12405 | | > isolde sim stop |
| 12406 | | |
| 12407 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12408 | | chains... |
| 12409 | | ISOLDE: stopped sim |
| 12410 | | |
| 12411 | | > isolde sim start sel |
| 12412 | | |
| 12413 | | ISOLDE: started sim |
| 12414 | | |
| 12415 | | > ui tool show "Ramachandran Plot" |
| 12416 | | |
| 12417 | | > isolde sim pause |
| 12418 | | |
| 12419 | | > isolde sim stop |
| 12420 | | |
| 12421 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12422 | | chains... |
| 12423 | | ISOLDE: stopped sim |
| 12424 | | |
| 12425 | | > isolde sim start sel |
| 12426 | | |
| 12427 | | ISOLDE: started sim |
| 12428 | | |
| 12429 | | > ui tool show "Ramachandran Plot" |
| 12430 | | |
| 12431 | | > isolde sim stop |
| 12432 | | |
| 12433 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12434 | | chains... |
| 12435 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 12436 | | standards. |
| 12437 | | ISOLDE: stopped sim |
| 12438 | | |
| 12439 | | > isolde sim start sel |
| 12440 | | |
| 12441 | | ISOLDE: started sim |
| 12442 | | |
| 12443 | | > ui tool show "Ramachandran Plot" |
| 12444 | | |
| 12445 | | > isolde pepflip sel |
| 12446 | | |
| 12447 | | Flipping the peptide bond for 1 residues |
| 12448 | | |
| 12449 | | > ui tool show "Ramachandran Plot" |
| 12450 | | |
| 12451 | | > isolde sim stop |
| 12452 | | |
| 12453 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12454 | | chains... |
| 12455 | | ISOLDE: stopped sim |
| 12456 | | |
| 12457 | | > view #1/m:140 |
| 12458 | | |
| 12459 | | > select #1/m:140 |
| 12460 | | |
| 12461 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 12462 | | |
| 12463 | | > isolde sim start sel |
| 12464 | | |
| 12465 | | ISOLDE: started sim |
| 12466 | | |
| 12467 | | > ui tool show "Ramachandran Plot" |
| 12468 | | |
| 12469 | | > select clear |
| 12470 | | |
| 12471 | | > isolde sim stop |
| 12472 | | |
| 12473 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12474 | | chains... |
| 12475 | | ISOLDE: stopped sim |
| 12476 | | |
| 12477 | | > select #1/m:178 |
| 12478 | | |
| 12479 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 12480 | | |
| 12481 | | > view #1/m:178 |
| 12482 | | |
| 12483 | | > isolde sim start sel |
| 12484 | | |
| 12485 | | ISOLDE: started sim |
| 12486 | | |
| 12487 | | > ui tool show "Ramachandran Plot" |
| 12488 | | |
| 12489 | | > isolde sim stop |
| 12490 | | |
| 12491 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12492 | | chains... |
| 12493 | | ISOLDE: stopped sim |
| 12494 | | |
| 12495 | | > ui tool show "Ramachandran Plot" |
| 12496 | | |
| 12497 | | > isolde sim start sel |
| 12498 | | |
| 12499 | | ISOLDE: started sim |
| 12500 | | |
| 12501 | | > ui tool show "Ramachandran Plot" |
| 12502 | | |
| 12503 | | > isolde sim pause |
| 12504 | | |
| 12505 | | > isolde sim resume |
| 12506 | | |
| 12507 | | > isolde sim pause |
| 12508 | | |
| 12509 | | > select #1/L:13|/L:16 |
| 12510 | | |
| 12511 | | 39 atoms, 37 bonds, 2 residues, 1 model selected |
| 12512 | | |
| 12513 | | > isolde sim start sel |
| 12514 | | |
| 12515 | | Simulation already running! |
| 12516 | | |
| 12517 | | > isolde sim stop |
| 12518 | | |
| 12519 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12520 | | chains... |
| 12521 | | ISOLDE: stopped sim |
| 12522 | | |
| 12523 | | > select #1/L:13|/L:16 |
| 12524 | | |
| 12525 | | 39 atoms, 37 bonds, 2 residues, 1 model selected |
| 12526 | | |
| 12527 | | > isolde sim start sel |
| 12528 | | |
| 12529 | | ISOLDE: started sim |
| 12530 | | |
| 12531 | | > isolde sim pause |
| 12532 | | |
| 12533 | | > isolde sim resume |
| 12534 | | |
| 12535 | | > ui tool show "Ramachandran Plot" |
| 12536 | | |
| 12537 | | > isolde sim stop |
| 12538 | | |
| 12539 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12540 | | chains... |
| 12541 | | ISOLDE: stopped sim |
| 12542 | | |
| 12543 | | > isolde sim start sel |
| 12544 | | |
| 12545 | | ISOLDE: started sim |
| 12546 | | |
| 12547 | | > ui tool show "Ramachandran Plot" |
| 12548 | | |
| 12549 | | > isolde sim stop |
| 12550 | | |
| 12551 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12552 | | chains... |
| 12553 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 12554 | | standards. |
| 12555 | | ISOLDE: stopped sim |
| 12556 | | |
| 12557 | | > view #1/L:13|/L:16 |
| 12558 | | |
| 12559 | | > select #1/L:13|/L:16 |
| 12560 | | |
| 12561 | | 39 atoms, 37 bonds, 2 residues, 1 model selected |
| 12562 | | |
| 12563 | | > isolde sim start sel |
| 12564 | | |
| 12565 | | ISOLDE: started sim |
| 12566 | | |
| 12567 | | > ui tool show "Ramachandran Plot" |
| 12568 | | |
| 12569 | | > isolde sim stop |
| 12570 | | |
| 12571 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12572 | | chains... |
| 12573 | | ISOLDE: stopped sim |
| 12574 | | |
| 12575 | | > view #1/L:21 |
| 12576 | | |
| 12577 | | > select #1/L:21 |
| 12578 | | |
| 12579 | | 14 atoms, 13 bonds, 1 residue, 1 model selected |
| 12580 | | |
| 12581 | | > isolde sim start sel |
| 12582 | | |
| 12583 | | ISOLDE: started sim |
| 12584 | | |
| 12585 | | > ui tool show "Ramachandran Plot" |
| 12586 | | |
| 12587 | | [Repeated 1 time(s)] |
| 12588 | | |
| 12589 | | > isolde sim stop |
| 12590 | | |
| 12591 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12592 | | chains... |
| 12593 | | ISOLDE: stopped sim |
| 12594 | | |
| 12595 | | > ui tool show "Ramachandran Plot" |
| 12596 | | |
| 12597 | | > isolde sim start sel |
| 12598 | | |
| 12599 | | ISOLDE: started sim |
| 12600 | | |
| 12601 | | > isolde pepflip sel |
| 12602 | | |
| 12603 | | Flipping the peptide bond for 1 residues |
| 12604 | | |
| 12605 | | > ui tool show "Ramachandran Plot" |
| 12606 | | |
| 12607 | | > select clear |
| 12608 | | |
| 12609 | | > isolde pepflip sel |
| 12610 | | |
| 12611 | | Flipping the peptide bond for 1 residues |
| 12612 | | |
| 12613 | | > select clear |
| 12614 | | |
| 12615 | | > isolde sim pause |
| 12616 | | |
| 12617 | | > isolde sim stop |
| 12618 | | |
| 12619 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12620 | | chains... |
| 12621 | | ISOLDE: stopped sim |
| 12622 | | |
| 12623 | | > isolde sim start sel |
| 12624 | | |
| 12625 | | ISOLDE: started sim |
| 12626 | | |
| 12627 | | > ui tool show "Ramachandran Plot" |
| 12628 | | |
| 12629 | | [Repeated 1 time(s)] |
| 12630 | | |
| 12631 | | > isolde sim pause |
| 12632 | | |
| 12633 | | > isolde sim resume |
| 12634 | | |
| 12635 | | > isolde pepflip sel |
| 12636 | | |
| 12637 | | Flipping the peptide bond for 1 residues |
| 12638 | | |
| 12639 | | > isolde sim pause |
| 12640 | | |
| 12641 | | > ui tool show "Ramachandran Plot" |
| 12642 | | |
| 12643 | | > isolde sim resume |
| 12644 | | |
| 12645 | | > ui tool show "Ramachandran Plot" |
| 12646 | | |
| 12647 | | > select clear |
| 12648 | | |
| 12649 | | > isolde sim pause |
| 12650 | | |
| 12651 | | > select #1/l:103|/l:107 |
| 12652 | | |
| 12653 | | 35 atoms, 33 bonds, 2 residues, 1 model selected |
| 12654 | | |
| 12655 | | > isolde sim start sel |
| 12656 | | |
| 12657 | | Simulation already running! |
| 12658 | | |
| 12659 | | > isolde sim stop |
| 12660 | | |
| 12661 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12662 | | chains... |
| 12663 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 12664 | | standards. |
| 12665 | | ISOLDE: stopped sim |
| 12666 | | |
| 12667 | | > select #1/l:103|/l:107 |
| 12668 | | |
| 12669 | | 35 atoms, 33 bonds, 2 residues, 1 model selected |
| 12670 | | |
| 12671 | | > isolde sim start sel |
| 12672 | | |
| 12673 | | ISOLDE: started sim |
| 12674 | | |
| 12675 | | > ui tool show "Ramachandran Plot" |
| 12676 | | |
| 12677 | | > isolde sim pause |
| 12678 | | |
| 12679 | | > isolde sim resume |
| 12680 | | |
| 12681 | | > isolde pepflip sel |
| 12682 | | |
| 12683 | | Flipping the peptide bond for 1 residues |
| 12684 | | |
| 12685 | | > select clear |
| 12686 | | |
| 12687 | | > isolde pepflip sel |
| 12688 | | |
| 12689 | | Flipping the peptide bond for 1 residues |
| 12690 | | |
| 12691 | | > select clear |
| 12692 | | |
| 12693 | | > isolde pepflip sel |
| 12694 | | |
| 12695 | | Flipping the peptide bond for 1 residues |
| 12696 | | |
| 12697 | | > isolde pepflip sel |
| 12698 | | |
| 12699 | | Flipping the peptide bond for 1 residues |
| 12700 | | |
| 12701 | | > select clear |
| 12702 | | |
| 12703 | | > isolde pepflip sel |
| 12704 | | |
| 12705 | | Flipping the peptide bond for 1 residues |
| 12706 | | |
| 12707 | | > select clear |
| 12708 | | |
| 12709 | | [Repeated 1 time(s)] |
| 12710 | | |
| 12711 | | > isolde pepflip sel |
| 12712 | | |
| 12713 | | Flipping the peptide bond for 1 residues |
| 12714 | | |
| 12715 | | > isolde pepflip sel |
| 12716 | | |
| 12717 | | Flipping the peptide bond for 1 residues |
| 12718 | | |
| 12719 | | > select clear |
| 12720 | | |
| 12721 | | > ui tool show "Ramachandran Plot" |
| 12722 | | |
| 12723 | | > isolde sim pause |
| 12724 | | |
| 12725 | | > isolde sim stop |
| 12726 | | |
| 12727 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12728 | | chains... |
| 12729 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 12730 | | standards. |
| 12731 | | ISOLDE: stopped sim |
| 12732 | | |
| 12733 | | > select #1/l:103|/l:107|/l:97|/l:95|/m:41 |
| 12734 | | |
| 12735 | | 87 atoms, 82 bonds, 5 residues, 1 model selected |
| 12736 | | |
| 12737 | | > isolde sim start sel |
| 12738 | | |
| 12739 | | ISOLDE: started sim |
| 12740 | | |
| 12741 | | > ui tool show "Ramachandran Plot" |
| 12742 | | |
| 12743 | | > isolde sim pause |
| 12744 | | |
| 12745 | | > isolde sim resume |
| 12746 | | |
| 12747 | | > ui tool show "Ramachandran Plot" |
| 12748 | | |
| 12749 | | > isolde sim stop |
| 12750 | | |
| 12751 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12752 | | chains... |
| 12753 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 12754 | | standards. |
| 12755 | | ISOLDE: stopped sim |
| 12756 | | |
| 12757 | | > select #1/l:91|/l:93 |
| 12758 | | |
| 12759 | | 29 atoms, 28 bonds, 2 residues, 1 model selected |
| 12760 | | |
| 12761 | | > isolde sim start sel |
| 12762 | | |
| 12763 | | ISOLDE: started sim |
| 12764 | | |
| 12765 | | > select clear |
| 12766 | | |
| 12767 | | > isolde pepflip sel |
| 12768 | | |
| 12769 | | Flipping the peptide bond for 1 residues |
| 12770 | | |
| 12771 | | > isolde pepflip sel |
| 12772 | | |
| 12773 | | Flipping the peptide bond for 1 residues |
| 12774 | | |
| 12775 | | > isolde pepflip sel |
| 12776 | | |
| 12777 | | Flipping the peptide bond for 1 residues |
| 12778 | | |
| 12779 | | > isolde pepflip sel |
| 12780 | | |
| 12781 | | Flipping the peptide bond for 1 residues |
| 12782 | | |
| 12783 | | > isolde pepflip sel |
| 12784 | | |
| 12785 | | Flipping the peptide bond for 1 residues |
| 12786 | | |
| 12787 | | > select clear |
| 12788 | | |
| 12789 | | > isolde pepflip sel |
| 12790 | | |
| 12791 | | Flipping the peptide bond for 1 residues |
| 12792 | | |
| 12793 | | > isolde pepflip sel |
| 12794 | | |
| 12795 | | Flipping the peptide bond for 1 residues |
| 12796 | | |
| 12797 | | > isolde sim stop |
| 12798 | | |
| 12799 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12800 | | chains... |
| 12801 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 12802 | | standards. |
| 12803 | | ISOLDE: stopped sim |
| 12804 | | |
| 12805 | | > select #1/l:91|/l:93 |
| 12806 | | |
| 12807 | | 29 atoms, 28 bonds, 2 residues, 1 model selected |
| 12808 | | |
| 12809 | | > isolde sim start sel |
| 12810 | | |
| 12811 | | ISOLDE: started sim |
| 12812 | | |
| 12813 | | > select clear |
| 12814 | | |
| 12815 | | [Repeated 2 time(s)] |
| 12816 | | |
| 12817 | | > isolde pepflip sel |
| 12818 | | |
| 12819 | | Flipping the peptide bond for 1 residues |
| 12820 | | |
| 12821 | | > select clear |
| 12822 | | |
| 12823 | | > isolde sim pause |
| 12824 | | |
| 12825 | | > select #1 |
| 12826 | | |
| 12827 | | 144426 atoms, 150208 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 12828 | | |
| 12829 | | > select #1/R89 |
| 12830 | | |
| 12831 | | Nothing selected |
| 12832 | | |
| 12833 | | > select #1/R:89 |
| 12834 | | |
| 12835 | | 21 atoms, 21 bonds, 1 residue, 1 model selected |
| 12836 | | |
| 12837 | | > select #1 |
| 12838 | | |
| 12839 | | 144426 atoms, 150208 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 12840 | | |
| 12841 | | > select #1/l:89 |
| 12842 | | |
| 12843 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 12844 | | |
| 12845 | | > isolde sim resume |
| 12846 | | |
| 12847 | | > select clear |
| 12848 | | |
| 12849 | | > select #1/l:88-87 |
| 12850 | | |
| 12851 | | Nothing selected |
| 12852 | | |
| 12853 | | > isolde sim pause |
| 12854 | | |
| 12855 | | > select #1/l:88-87 |
| 12856 | | |
| 12857 | | Nothing selected |
| 12858 | | |
| 12859 | | > select #1/l:88-90 |
| 12860 | | |
| 12861 | | 53 atoms, 52 bonds, 3 residues, 1 model selected |
| 12862 | | |
| 12863 | | > isolde sim resume |
| 12864 | | |
| 12865 | | > select #1 |
| 12866 | | |
| 12867 | | 144426 atoms, 150208 bonds, 5 pseudobonds, 6905 residues, 22 models selected |
| 12868 | | |
| 12869 | | > select clear |
| 12870 | | |
| 12871 | | > ui tool show "Ramachandran Plot" |
| 12872 | | |
| 12873 | | > isolde sim stop |
| 12874 | | |
| 12875 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12876 | | chains... |
| 12877 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 12878 | | standards. |
| 12879 | | ISOLDE: stopped sim |
| 12880 | | |
| 12881 | | > view #1/l:103|/l:107|/l:97|/l:95|/m:41 |
| 12882 | | |
| 12883 | | > select #1/l:103|/l:107|/l:97|/l:95|/m:41 |
| 12884 | | |
| 12885 | | 87 atoms, 82 bonds, 5 residues, 1 model selected |
| 12886 | | |
| 12887 | | > isolde sim start sel |
| 12888 | | |
| 12889 | | ISOLDE: started sim |
| 12890 | | |
| 12891 | | > ui tool show "Ramachandran Plot" |
| 12892 | | |
| 12893 | | > isolde sim stop |
| 12894 | | |
| 12895 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12896 | | chains... |
| 12897 | | ISOLDE: stopped sim |
| 12898 | | |
| 12899 | | > select #1/l:103|/l:107 |
| 12900 | | |
| 12901 | | 35 atoms, 33 bonds, 2 residues, 1 model selected |
| 12902 | | |
| 12903 | | > isolde sim start sel |
| 12904 | | |
| 12905 | | ISOLDE: started sim |
| 12906 | | |
| 12907 | | > ui tool show "Ramachandran Plot" |
| 12908 | | |
| 12909 | | > isolde sim stop |
| 12910 | | |
| 12911 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12912 | | chains... |
| 12913 | | ISOLDE: stopped sim |
| 12914 | | |
| 12915 | | > select #1/m:39 |
| 12916 | | |
| 12917 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 12918 | | |
| 12919 | | > view #1/m:39 |
| 12920 | | |
| 12921 | | > view #1/m:38 |
| 12922 | | |
| 12923 | | > select #1/m:38 |
| 12924 | | |
| 12925 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 12926 | | |
| 12927 | | > isolde sim start sel |
| 12928 | | |
| 12929 | | ISOLDE: started sim |
| 12930 | | |
| 12931 | | > ui tool show "Ramachandran Plot" |
| 12932 | | |
| 12933 | | > isolde sim stop |
| 12934 | | |
| 12935 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12936 | | chains... |
| 12937 | | ISOLDE: stopped sim |
| 12938 | | |
| 12939 | | > select #1/m:42 |
| 12940 | | |
| 12941 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 12942 | | |
| 12943 | | > view #1/m:42 |
| 12944 | | |
| 12945 | | > isolde sim start sel |
| 12946 | | |
| 12947 | | ISOLDE: started sim |
| 12948 | | |
| 12949 | | > ui tool show "Ramachandran Plot" |
| 12950 | | |
| 12951 | | > isolde sim stop |
| 12952 | | |
| 12953 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12954 | | chains... |
| 12955 | | ISOLDE: stopped sim |
| 12956 | | |
| 12957 | | > ui tool show "Ramachandran Plot" |
| 12958 | | |
| 12959 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 12960 | | > mut8-no-C-ter/20-7-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 12961 | | > step20-7-FinishedStep1d2dC.cxs |
| 12962 | | |
| 12963 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 12964 | | |
| 12965 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 12966 | | > mut8-no-C-ter/20-7-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 12967 | | > step20-7-FinishedStep1d2dC.pdb |
| 12968 | | |
| 12969 | | > ui tool show "Ramachandran Plot" |
| 12970 | | |
| 12971 | | > isolde sim start sel |
| 12972 | | |
| 12973 | | ISOLDE: started sim |
| 12974 | | |
| 12975 | | > ui tool show "Ramachandran Plot" |
| 12976 | | |
| 12977 | | > isolde sim stop |
| 12978 | | |
| 12979 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12980 | | chains... |
| 12981 | | ISOLDE: stopped sim |
| 12982 | | |
| 12983 | | > ui tool show "Ramachandran Plot" |
| 12984 | | |
| 12985 | | > isolde sim start sel |
| 12986 | | |
| 12987 | | ISOLDE: started sim |
| 12988 | | |
| 12989 | | > ui tool show "Ramachandran Plot" |
| 12990 | | |
| 12991 | | [Repeated 1 time(s)] |
| 12992 | | |
| 12993 | | > select clear |
| 12994 | | |
| 12995 | | > isolde sim stop |
| 12996 | | |
| 12997 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 12998 | | chains... |
| 12999 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 13000 | | standards. |
| 13001 | | ISOLDE: stopped sim |
| 13002 | | |
| 13003 | | > ui tool show "Ramachandran Plot" |
| 13004 | | |
| 13005 | | > isolde sim start sel |
| 13006 | | |
| 13007 | | ISOLDE: started sim |
| 13008 | | |
| 13009 | | > ui tool show "Ramachandran Plot" |
| 13010 | | |
| 13011 | | > isolde sim pause |
| 13012 | | |
| 13013 | | > isolde sim resume |
| 13014 | | |
| 13015 | | > ui tool show "Ramachandran Plot" |
| 13016 | | |
| 13017 | | > isolde sim pause |
| 13018 | | |
| 13019 | | > isolde sim stop |
| 13020 | | |
| 13021 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 13022 | | chains... |
| 13023 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 13024 | | standards. |
| 13025 | | ISOLDE: stopped sim |
| 13026 | | |
| 13027 | | > select #1/S:59-64 |
| 13028 | | |
| 13029 | | 83 atoms, 82 bonds, 6 residues, 1 model selected |
| 13030 | | |
| 13031 | | > isolde sim start sel |
| 13032 | | |
| 13033 | | ISOLDE: started sim |
| 13034 | | |
| 13035 | | > ui tool show "Ramachandran Plot" |
| 13036 | | |
| 13037 | | > isolde sim pause |
| 13038 | | |
| 13039 | | > isolde sim resume |
| 13040 | | |
| 13041 | | > select clear |
| 13042 | | |
| 13043 | | > isolde pepflip sel |
| 13044 | | |
| 13045 | | Flipping the peptide bond for 1 residues |
| 13046 | | |
| 13047 | | > isolde pepflip sel |
| 13048 | | |
| 13049 | | Flipping the peptide bond for 1 residues |
| 13050 | | |
| 13051 | | > select clear |
| 13052 | | |
| 13053 | | > ui tool show "Ramachandran Plot" |
| 13054 | | |
| 13055 | | [Repeated 1 time(s)] |
| 13056 | | |
| 13057 | | > isolde sim stop |
| 13058 | | |
| 13059 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 13060 | | chains... |
| 13061 | | ISOLDE: stopped sim |
| 13062 | | |
| 13063 | | > view #1/S:59-64 |
| 13064 | | |
| 13065 | | > view #1/S:53 |
| 13066 | | |
| 13067 | | > select #1/S:53 |
| 13068 | | |
| 13069 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 13070 | | |
| 13071 | | > isolde sim start sel |
| 13072 | | |
| 13073 | | ISOLDE: started sim |
| 13074 | | |
| 13075 | | > ui tool show "Ramachandran Plot" |
| | 1592 | [deleted to fit within ticket limits] |