Opened 3 years ago
Closed 3 years ago
#8300 closed defect (limitation)
Didn't find section 'Peptide bond' in tab 'ISOLDE'
Reported by: | Owned by: | Tristan Croll | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Third Party | Version: | |
Keywords: | Cc: | Greg Couch | |
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Windows-10-10.0.22000 ChimeraX Version: 1.5 (2022-11-24 00:03:27 UTC) Description it was a sel #1/c-h command Log: Startup Messages --- note | available bundle cache has not been initialized yet UCSF ChimeraX version: 1.5 (2022-11-24) © 2016-2022 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open C:\Users\yayin\Downloads\7ugu.pdb format pdb 7ugu.pdb title: Structure of enolase from streptococcus pyogenes [more info...] Chain information for 7ugu.pdb #1 --- Chain | Description | UniProt A B C D E F G H | enolase | A3F8V6_STRPY > select #1/a,b 13188 atoms, 13294 bonds, 872 residues, 1 model selected > interfaces select & ~solvent Missing or invalid "atoms" argument: invalid atoms specifier > toolshed show Downloading bundle SEQCROW-1.5.10-py3-none-any.whl [Repeated 1 time(s)] Errors may have occurred when running pip: pip standard error: \--- [notice] A new release of pip available: 22.2.2 -> 22.3.1 [notice] To update, run: C:\Program Files\ChimeraX\bin\ChimeraX.exe -m pip install --upgrade pip \--- pip standard output: \--- Looking in indexes: https://pypi.org/simple, https://cxtoolshed.rbvi.ucsf.edu/pypi/ Processing c:\users\yayin\downloads\seqcrow-1.5.10-py3-none-any.whl Requirement already satisfied: scipy in c:\program files\chimerax\bin\lib\site-packages (from SEQCROW==1.5.10) (1.9.0) Requirement already satisfied: ChimeraX-Core<=1.6,>=1.2 in c:\program files\chimerax\bin\lib\site-packages (from SEQCROW==1.5.10) (1.5) Requirement already satisfied: psutil in c:\program files\chimerax\bin\lib\site-packages (from SEQCROW==1.5.10) (5.9.1) Requirement already satisfied: jinja2 in c:\program files\chimerax\bin\lib\site-packages (from SEQCROW==1.5.10) (3.1.2) Collecting Send2Trash Using cached Send2Trash-1.8.0-py3-none-any.whl (18 kB) Requirement already satisfied: MarkupSafe>=2.0 in c:\program files\chimerax\bin\lib\site-packages (from jinja2->SEQCROW==1.5.10) (2.1.1) Requirement already satisfied: numpy<1.25.0,>=1.18.5 in c:\program files\chimerax\bin\lib\site-packages (from scipy->SEQCROW==1.5.10) (1.23.1) Installing collected packages: Send2Trash, SEQCROW Successfully installed SEQCROW-1.5.10 Send2Trash-1.8.0 \--- Successfully installed SEQCROW-1.5.10 Send2Trash-1.8.0 Installed SEQCROW (1.5.10) Downloading bundle ChimeraX_StrudelScore-0.2-py3-none-any.whl Errors may have occurred when running pip: pip standard error: \--- [notice] A new release of pip available: 22.2.2 -> 22.3.1 [notice] To update, run: C:\Program Files\ChimeraX\bin\ChimeraX.exe -m pip install --upgrade pip \--- pip standard output: \--- Looking in indexes: https://pypi.org/simple, https://cxtoolshed.rbvi.ucsf.edu/pypi/ Processing c:\users\yayin\downloads\chimerax_strudelscore-0.2-py3-none-any.whl Collecting ChimeraX-Clipper>=0.15.0 Downloading https://cxtoolshed.rbvi.ucsf.edu/media/chimeraxclipper/releases/0.19.0/ChimeraX_Clipper-0.19.0-cp39-cp39-win_amd64.whl (7.4 MB) \---------------------------------------- 7.4/7.4 MB 4.0 MB/s eta 0:00:00 Collecting biopython>=1.77 Downloading biopython-1.80-cp39-cp39-win_amd64.whl (2.7 MB) \---------------------------------------- 2.7/2.7 MB 10.8 MB/s eta 0:00:00 Collecting ChimeraX-ISOLDE>=1.2 Downloading https://cxtoolshed.rbvi.ucsf.edu/media/chimeraxisolde/releases/1.5/ChimeraX_ISOLDE-1.5-cp39-cp39-win_amd64.whl (90.9 MB) \---------------------------------------- 90.9/90.9 MB 6.9 MB/s eta 0:00:00 Collecting pandas>=0.24 Downloading pandas-1.5.2-cp39-cp39-win_amd64.whl (10.9 MB) \--------------------------------------- 10.9/10.9 MB 11.1 MB/s eta 0:00:00 Requirement already satisfied: ChimeraX-Core<1.6 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-StrudelScore==0.2) (1.5) Collecting mrcfile>=1.1 Downloading mrcfile-1.4.3-py2.py3-none-any.whl (43 kB) \---------------------------------------- 43.9/43.9 kB ? eta 0:00:00 Collecting threed-strudel>0.9 Downloading threed_strudel-0.9.18-py3-none-any.whl (7.1 MB) \---------------------------------------- 7.1/7.1 MB 12.2 MB/s eta 0:00:00 Collecting recordtype>=1.3 Downloading recordtype-1.4-py2.py3-none-any.whl (13 kB) Requirement already satisfied: numpy in c:\program files\chimerax\bin\lib\site-packages (from biopython>=1.77->ChimeraX- StrudelScore==0.2) (1.23.1) Requirement already satisfied: ChimeraX-AtomicLibrary~=8.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Clipper>=0.15.0->ChimeraX- StrudelScore==0.2) (8.0.3) Requirement already satisfied: ChimeraX-Arrays~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Clipper>=0.15.0->ChimeraX- StrudelScore==0.2) (1.0) Requirement already satisfied: ChimeraX-Atomic~=1.36 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Clipper>=0.15.0->ChimeraX- StrudelScore==0.2) (1.41.5) Requirement already satisfied: pytz>=2020.1 in c:\program files\chimerax\bin\lib\site-packages (from pandas>=0.24->ChimeraX- StrudelScore==0.2) (2022.6) Requirement already satisfied: python-dateutil>=2.8.1 in c:\program files\chimerax\bin\lib\site-packages (from pandas>=0.24->ChimeraX- StrudelScore==0.2) (2.8.2) Requirement already satisfied: six in c:\program files\chimerax\bin\lib\site- packages (from recordtype>=1.3->ChimeraX-StrudelScore==0.2) (1.16.0) Requirement already satisfied: scipy in c:\program files\chimerax\bin\lib\site-packages (from threed-strudel>0.9->ChimeraX- StrudelScore==0.2) (1.9.0) Requirement already satisfied: psutil in c:\program files\chimerax\bin\lib\site-packages (from threed-strudel>0.9->ChimeraX- StrudelScore==0.2) (5.9.1) Requirement already satisfied: ChimeraX-ConnectStructure~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX- Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (2.0.1) Requirement already satisfied: ChimeraX-PDBLibrary~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX- Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (1.0.2) Requirement already satisfied: ChimeraX-Nucleotides~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX- Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (2.0.3) Requirement already satisfied: ChimeraX-Graphics~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX- Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (1.1) Requirement already satisfied: ChimeraX-PDB~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX- Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (2.6.8) Requirement already satisfied: ChimeraX-mmCIF~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX- Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (2.8) Requirement already satisfied: ChimeraX-Geometry~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX- Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (1.2) Requirement already satisfied: ChimeraX-SaveCommand~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX- Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (1.5.1) Requirement already satisfied: ChimeraX-OpenCommand~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX- Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (1.9.1) Requirement already satisfied: ChimeraX-DataFormats~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX- Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (1.2.2) Requirement already satisfied: ChimeraX-UI~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX- StrudelScore==0.2) (1.24.3) Requirement already satisfied: ChimeraX-Surface~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX- StrudelScore==0.2) (1.0) Requirement already satisfied: ChimeraX-IO~=1.0.1 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PDB~=2.0->ChimeraX- Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (1.0.1) Requirement already satisfied: ChimeraX-StdCommands~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX- StrudelScore==0.2) (1.10) Requirement already satisfied: ChimeraX-Map~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX- StrudelScore==0.2) (1.1.2) Requirement already satisfied: ChimeraX-MapData~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX- StrudelScore==0.2) (2.0) Requirement already satisfied: ChimeraX-SelInspector~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-UI~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX- StrudelScore==0.2) (1.0) Requirement already satisfied: ChimeraX-MouseModes~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-UI~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX- StrudelScore==0.2) (1.1.1) Requirement already satisfied: ChimeraX-MapSeries~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Map~=1.0->ChimeraX- Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX- Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (2.1.1) Requirement already satisfied: ChimeraX-MapFilter~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Map~=1.0->ChimeraX- Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX- Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (2.0) Requirement already satisfied: ChimeraX-ItemsInspection~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- SelInspector~=1.0->ChimeraX-UI~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (1.0.1) Requirement already satisfied: ChimeraX-MapFit~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (2.0) Requirement already satisfied: ChimeraX-Dssp~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (2.0) Requirement already satisfied: ChimeraX-DistMonitor~=1.2 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic~=1.36->ChimeraX-Clipper>=0.15.0->ChimeraX-StrudelScore==0.2) (1.3) Installing collected packages: recordtype, mrcfile, biopython, threed-strudel, pandas, ChimeraX-Clipper, ChimeraX-ISOLDE, ChimeraX-StrudelScore Successfully installed ChimeraX-Clipper-0.19.0 ChimeraX-ISOLDE-1.5 ChimeraX- StrudelScore-0.2 biopython-1.80 mrcfile-1.4.3 pandas-1.5.2 recordtype-1.4 threed-strudel-0.9.18 \--- Successfully installed ChimeraX-Clipper-0.19.0 ChimeraX-ISOLDE-1.5 ChimeraX- StrudelScore-0.2 biopython-1.80 mrcfile-1.4.3 pandas-1.5.2 recordtype-1.4 threed-strudel-0.9.18 Installed ChimeraX-Clipper (0.19.0) Installed ChimeraX-ISOLDE (1.5) Installed ChimeraX-StrudelScore (0.2) Downloading bundle ChimeraX_RMF-0.11-cp39-cp39-win_amd64.whl Errors may have occurred when running pip: pip standard error: \--- [notice] A new release of pip available: 22.2.2 -> 22.3.1 [notice] To update, run: C:\Program Files\ChimeraX\bin\ChimeraX.exe -m pip install --upgrade pip \--- pip standard output: \--- Looking in indexes: https://pypi.org/simple, https://cxtoolshed.rbvi.ucsf.edu/pypi/ Processing c:\users\yayin\downloads\chimerax_rmf-0.11-cp39-cp39-win_amd64.whl Requirement already satisfied: ChimeraX-Core>=1.3 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-RMF==0.11) (1.5) Requirement already satisfied: ChimeraX-Atomic>=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-RMF==0.11) (1.41.5) Requirement already satisfied: ChimeraX-UI>=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-RMF==0.11) (1.24.3) Requirement already satisfied: ChimeraX-Nucleotides~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- RMF==0.11) (2.0.3) Requirement already satisfied: ChimeraX-Arrays~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- RMF==0.11) (1.0) Requirement already satisfied: ChimeraX-AtomicLibrary~=8.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- RMF==0.11) (8.0.3) Requirement already satisfied: ChimeraX-PDBLibrary~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- RMF==0.11) (1.0.2) Requirement already satisfied: ChimeraX-PDB~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- RMF==0.11) (2.6.8) Requirement already satisfied: ChimeraX-ConnectStructure~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- RMF==0.11) (2.0.1) Requirement already satisfied: ChimeraX-Geometry~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- RMF==0.11) (1.2) Requirement already satisfied: ChimeraX-mmCIF~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- RMF==0.11) (2.8) Requirement already satisfied: ChimeraX-Graphics~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- RMF==0.11) (1.1) Requirement already satisfied: ChimeraX-SelInspector~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-UI>=1.0->ChimeraX- RMF==0.11) (1.0) Requirement already satisfied: ChimeraX-MouseModes~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-UI>=1.0->ChimeraX- RMF==0.11) (1.1.1) Requirement already satisfied: ChimeraX-SaveCommand~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-RMF==0.11) (1.5.1) Requirement already satisfied: ChimeraX-OpenCommand~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-RMF==0.11) (1.9.1) Requirement already satisfied: ChimeraX-DataFormats~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-RMF==0.11) (1.2.2) Requirement already satisfied: ChimeraX-Surface~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX-RMF==0.11) (1.0) Requirement already satisfied: ChimeraX-IO~=1.0.1 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PDB~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-RMF==0.11) (1.0.1) Requirement already satisfied: ChimeraX-ItemsInspection~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- SelInspector~=1.0->ChimeraX-UI>=1.0->ChimeraX-RMF==0.11) (1.0.1) Requirement already satisfied: ChimeraX-Map~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX-RMF==0.11) (1.1.2) Requirement already satisfied: ChimeraX-MapData~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX-RMF==0.11) (2.0) Requirement already satisfied: ChimeraX-StdCommands~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX-RMF==0.11) (1.10) Requirement already satisfied: ChimeraX-MapSeries~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Map~=1.0->ChimeraX- Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX- RMF==0.11) (2.1.1) Requirement already satisfied: ChimeraX-MapFilter~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Map~=1.0->ChimeraX- Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX- RMF==0.11) (2.0) Requirement already satisfied: ChimeraX-Dssp~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-RMF==0.11) (2.0) Requirement already satisfied: ChimeraX-MapFit~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-RMF==0.11) (2.0) Requirement already satisfied: ChimeraX-DistMonitor~=1.2 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-RMF==0.11) (1.3) Installing collected packages: ChimeraX-RMF Successfully installed ChimeraX-RMF-0.11 \--- Successfully installed ChimeraX-RMF-0.11 Installed ChimeraX-RMF (0.11) Downloading bundle ChimeraX_XMAS-1.1.2-py3-none-any.whl Errors may have occurred when running pip: pip standard error: \--- [notice] A new release of pip available: 22.2.2 -> 22.3.1 [notice] To update, run: C:\Program Files\ChimeraX\bin\ChimeraX.exe -m pip install --upgrade pip \--- pip standard output: \--- Looking in indexes: https://pypi.org/simple, https://cxtoolshed.rbvi.ucsf.edu/pypi/ Processing c:\users\yayin\downloads\chimerax_xmas-1.1.2-py3-none-any.whl Collecting seaborn Downloading seaborn-0.12.2-py3-none-any.whl (293 kB) \-------------------------------------- 293.3/293.3 kB 4.5 MB/s eta 0:00:00 Collecting openpyxl Downloading openpyxl-3.0.10-py2.py3-none-any.whl (242 kB) \-------------------------------------- 242.1/242.1 kB 7.5 MB/s eta 0:00:00 Collecting qtrangeslider Downloading QtRangeSlider-0.1.5-py3-none-any.whl (33 kB) Requirement already satisfied: ChimeraX-Core~=1.3 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-XMAS==1.1.2) (1.5) Requirement already satisfied: pandas in c:\users\yayin\appdata\local\ucsf\chimerax\1.5\site-packages (from ChimeraX- XMAS==1.1.2) (1.5.2) Requirement already satisfied: ChimeraX-UI~=1.3 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-XMAS==1.1.2) (1.24.3) Requirement already satisfied: ChimeraX-Graphics~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-UI~=1.3->ChimeraX- XMAS==1.1.2) (1.1) Requirement already satisfied: ChimeraX-SelInspector~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-UI~=1.3->ChimeraX- XMAS==1.1.2) (1.0) Requirement already satisfied: ChimeraX-MouseModes~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-UI~=1.3->ChimeraX- XMAS==1.1.2) (1.1.1) Collecting et-xmlfile Downloading et_xmlfile-1.1.0-py3-none-any.whl (4.7 kB) Requirement already satisfied: python-dateutil>=2.8.1 in c:\program files\chimerax\bin\lib\site-packages (from pandas->ChimeraX-XMAS==1.1.2) (2.8.2) Requirement already satisfied: pytz>=2020.1 in c:\program files\chimerax\bin\lib\site-packages (from pandas->ChimeraX-XMAS==1.1.2) (2022.6) Requirement already satisfied: numpy>=1.20.3 in c:\program files\chimerax\bin\lib\site-packages (from pandas->ChimeraX-XMAS==1.1.2) (1.23.1) Requirement already satisfied: matplotlib!=3.6.1,>=3.1 in c:\program files\chimerax\bin\lib\site-packages (from seaborn->ChimeraX-XMAS==1.1.2) (3.5.2) Requirement already satisfied: ChimeraX-Arrays~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Graphics~=1.0->ChimeraX- UI~=1.3->ChimeraX-XMAS==1.1.2) (1.0) Requirement already satisfied: ChimeraX-Geometry~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Graphics~=1.0->ChimeraX- UI~=1.3->ChimeraX-XMAS==1.1.2) (1.2) Requirement already satisfied: ChimeraX-ItemsInspection~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- SelInspector~=1.0->ChimeraX-UI~=1.3->ChimeraX-XMAS==1.1.2) (1.0.1) Requirement already satisfied: pyparsing>=2.2.1 in c:\program files\chimerax\bin\lib\site-packages (from matplotlib!=3.6.1,>=3.1->seaborn->ChimeraX-XMAS==1.1.2) (3.0.9) Requirement already satisfied: fonttools>=4.22.0 in c:\program files\chimerax\bin\lib\site-packages (from matplotlib!=3.6.1,>=3.1->seaborn->ChimeraX-XMAS==1.1.2) (4.38.0) Requirement already satisfied: cycler>=0.10 in c:\program files\chimerax\bin\lib\site-packages (from matplotlib!=3.6.1,>=3.1->seaborn->ChimeraX-XMAS==1.1.2) (0.11.0) Requirement already satisfied: pillow>=6.2.0 in c:\program files\chimerax\bin\lib\site-packages (from matplotlib!=3.6.1,>=3.1->seaborn->ChimeraX-XMAS==1.1.2) (9.2.0) Requirement already satisfied: packaging>=20.0 in c:\program files\chimerax\bin\lib\site-packages (from matplotlib!=3.6.1,>=3.1->seaborn->ChimeraX-XMAS==1.1.2) (21.3) Requirement already satisfied: kiwisolver>=1.0.1 in c:\program files\chimerax\bin\lib\site-packages (from matplotlib!=3.6.1,>=3.1->seaborn->ChimeraX-XMAS==1.1.2) (1.4.4) Requirement already satisfied: six>=1.5 in c:\program files\chimerax\bin\lib\site-packages (from python- dateutil>=2.8.1->pandas->ChimeraX-XMAS==1.1.2) (1.16.0) Installing collected packages: qtrangeslider, et-xmlfile, openpyxl, seaborn, ChimeraX-XMAS Successfully installed ChimeraX-XMAS-1.1.2 et-xmlfile-1.1.0 openpyxl-3.0.10 qtrangeslider-0.1.5 seaborn-0.12.2 \--- Successfully installed ChimeraX-XMAS-1.1.2 et-xmlfile-1.1.0 openpyxl-3.0.10 qtrangeslider-0.1.5 seaborn-0.12.2 Installed ChimeraX-XMAS (1.1.2) Downloading bundle ChimeraX_Phenix-0.3-py3-none-any.whl Errors may have occurred when running pip: pip standard error: \--- [notice] A new release of pip available: 22.2.2 -> 22.3.1 [notice] To update, run: C:\Program Files\ChimeraX\bin\ChimeraX.exe -m pip install --upgrade pip \--- pip standard output: \--- Looking in indexes: https://pypi.org/simple, https://cxtoolshed.rbvi.ucsf.edu/pypi/ Processing c:\users\yayin\downloads\chimerax_phenix-0.3-py3-none-any.whl Requirement already satisfied: ChimeraX-Atomic>=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Phenix==0.3) (1.41.5) Requirement already satisfied: ChimeraX-Core>=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Phenix==0.3) (1.5) Requirement already satisfied: ChimeraX-Geometry~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- Phenix==0.3) (1.2) Requirement already satisfied: ChimeraX-mmCIF~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- Phenix==0.3) (2.8) Requirement already satisfied: ChimeraX-Nucleotides~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- Phenix==0.3) (2.0.3) Requirement already satisfied: ChimeraX-ConnectStructure~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- Phenix==0.3) (2.0.1) Requirement already satisfied: ChimeraX-PDB~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- Phenix==0.3) (2.6.8) Requirement already satisfied: ChimeraX-PDBLibrary~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- Phenix==0.3) (1.0.2) Requirement already satisfied: ChimeraX-Graphics~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- Phenix==0.3) (1.1) Requirement already satisfied: ChimeraX-AtomicLibrary~=8.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- Phenix==0.3) (8.0.3) Requirement already satisfied: ChimeraX-Arrays~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic>=1.0->ChimeraX- Phenix==0.3) (1.0) Requirement already satisfied: ChimeraX-SaveCommand~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-Phenix==0.3) (1.5.1) Requirement already satisfied: ChimeraX-OpenCommand~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-Phenix==0.3) (1.9.1) Requirement already satisfied: ChimeraX-DataFormats~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-Phenix==0.3) (1.2.2) Requirement already satisfied: ChimeraX-Surface~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX-Phenix==0.3) (1.0) Requirement already satisfied: ChimeraX-UI~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX-Phenix==0.3) (1.24.3) Requirement already satisfied: ChimeraX-IO~=1.0.1 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PDB~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-Phenix==0.3) (1.0.1) Requirement already satisfied: ChimeraX-StdCommands~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX-Phenix==0.3) (1.10) Requirement already satisfied: ChimeraX-MapData~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX-Phenix==0.3) (2.0) Requirement already satisfied: ChimeraX-Map~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX-Phenix==0.3) (1.1.2) Requirement already satisfied: ChimeraX-MouseModes~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-UI~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX-Phenix==0.3) (1.1.1) Requirement already satisfied: ChimeraX-SelInspector~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-UI~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX-Phenix==0.3) (1.0) Requirement already satisfied: ChimeraX-MapFilter~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Map~=1.0->ChimeraX- Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX- Phenix==0.3) (2.0) Requirement already satisfied: ChimeraX-MapSeries~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Map~=1.0->ChimeraX- Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-Atomic>=1.0->ChimeraX- Phenix==0.3) (2.1.1) Requirement already satisfied: ChimeraX-ItemsInspection~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- SelInspector~=1.0->ChimeraX-UI~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-Phenix==0.3) (1.0.1) Requirement already satisfied: ChimeraX-Dssp~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-Phenix==0.3) (2.0) Requirement already satisfied: ChimeraX-MapFit~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-Phenix==0.3) (2.0) Requirement already satisfied: ChimeraX-DistMonitor~=1.2 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic>=1.0->ChimeraX-Phenix==0.3) (1.3) Installing collected packages: ChimeraX-Phenix Successfully installed ChimeraX-Phenix-0.3 \--- Successfully installed ChimeraX-Phenix-0.3 Installed ChimeraX-Phenix (0.3) Downloading bundle ChimeraX_PhenixUI-1.0.5-py3-none-any.whl Errors may have occurred when running pip: pip standard error: \--- [notice] A new release of pip available: 22.2.2 -> 22.3.1 [notice] To update, run: C:\Program Files\ChimeraX\bin\ChimeraX.exe -m pip install --upgrade pip \--- pip standard output: \--- Looking in indexes: https://pypi.org/simple, https://cxtoolshed.rbvi.ucsf.edu/pypi/ Processing c:\users\yayin\downloads\chimerax_phenixui-1.0.5-py3-none-any.whl Requirement already satisfied: ChimeraX-UI~=1.21 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PhenixUI==1.0.5) (1.24.3) Requirement already satisfied: ChimeraX-MapData~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PhenixUI==1.0.5) (2.0) Requirement already satisfied: ChimeraX-CheckWaters~=1.3 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PhenixUI==1.0.5) (1.3) Requirement already satisfied: ChimeraX-PDB~=2.6 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PhenixUI==1.0.5) (2.6.8) Requirement already satisfied: ChimeraX-Atomic~=1.32 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PhenixUI==1.0.5) (1.41.5) Requirement already satisfied: ChimeraX-Core~=1.5dev1 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PhenixUI==1.0.5) (1.5) Requirement already satisfied: ChimeraX-Graphics~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.32->ChimeraX- PhenixUI==1.0.5) (1.1) Requirement already satisfied: ChimeraX-Arrays~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.32->ChimeraX- PhenixUI==1.0.5) (1.0) Requirement already satisfied: ChimeraX-Geometry~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.32->ChimeraX- PhenixUI==1.0.5) (1.2) Requirement already satisfied: ChimeraX-Nucleotides~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.32->ChimeraX- PhenixUI==1.0.5) (2.0.3) Requirement already satisfied: ChimeraX-ConnectStructure~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.32->ChimeraX- PhenixUI==1.0.5) (2.0.1) Requirement already satisfied: ChimeraX-mmCIF~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.32->ChimeraX- PhenixUI==1.0.5) (2.8) Requirement already satisfied: ChimeraX-PDBLibrary~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.32->ChimeraX- PhenixUI==1.0.5) (1.0.2) Requirement already satisfied: ChimeraX-AtomicLibrary~=8.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.32->ChimeraX- PhenixUI==1.0.5) (8.0.3) Requirement already satisfied: ChimeraX-HBonds~=2.3 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- CheckWaters~=1.3->ChimeraX-PhenixUI==1.0.5) (2.4) Requirement already satisfied: ChimeraX-DataFormats~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-MapData~=2.0->ChimeraX- PhenixUI==1.0.5) (1.2.2) Requirement already satisfied: ChimeraX-IO~=1.0.1 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PDB~=2.6->ChimeraX- PhenixUI==1.0.5) (1.0.1) Requirement already satisfied: ChimeraX-SaveCommand~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PDB~=2.6->ChimeraX- PhenixUI==1.0.5) (1.5.1) Requirement already satisfied: ChimeraX-OpenCommand~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-PDB~=2.6->ChimeraX- PhenixUI==1.0.5) (1.9.1) Requirement already satisfied: ChimeraX-MouseModes~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-UI~=1.21->ChimeraX- PhenixUI==1.0.5) (1.1.1) Requirement already satisfied: ChimeraX-SelInspector~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-UI~=1.21->ChimeraX- PhenixUI==1.0.5) (1.0) Requirement already satisfied: ChimeraX-AtomSearch~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-HBonds~=2.3->ChimeraX- CheckWaters~=1.3->ChimeraX-PhenixUI==1.0.5) (2.0.1) Requirement already satisfied: ChimeraX-ChemGroup~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-HBonds~=2.3->ChimeraX- CheckWaters~=1.3->ChimeraX-PhenixUI==1.0.5) (2.0) Requirement already satisfied: ChimeraX-Surface~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic~=1.32->ChimeraX-PhenixUI==1.0.5) (1.0) Requirement already satisfied: ChimeraX-ItemsInspection~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- SelInspector~=1.0->ChimeraX-UI~=1.21->ChimeraX-PhenixUI==1.0.5) (1.0.1) Requirement already satisfied: ChimeraX-StdCommands~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic~=1.32->ChimeraX-PhenixUI==1.0.5) (1.10) Requirement already satisfied: ChimeraX-Map~=1.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX- Nucleotides~=2.0->ChimeraX-Atomic~=1.32->ChimeraX-PhenixUI==1.0.5) (1.1.2) Requirement already satisfied: ChimeraX-MapFilter~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Map~=1.0->ChimeraX- Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-Atomic~=1.32->ChimeraX- PhenixUI==1.0.5) (2.0) Requirement already satisfied: ChimeraX-MapSeries~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-Map~=1.0->ChimeraX- Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-Atomic~=1.32->ChimeraX- PhenixUI==1.0.5) (2.1.1) Requirement already satisfied: ChimeraX-DistMonitor~=1.2 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic~=1.32->ChimeraX-PhenixUI==1.0.5) (1.3) Requirement already satisfied: ChimeraX-Dssp~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic~=1.32->ChimeraX-PhenixUI==1.0.5) (2.0) Requirement already satisfied: ChimeraX-MapFit~=2.0 in c:\program files\chimerax\bin\lib\site-packages (from ChimeraX- StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX- Atomic~=1.32->ChimeraX-PhenixUI==1.0.5) (2.0) Installing collected packages: ChimeraX-PhenixUI Successfully installed ChimeraX-PhenixUI-1.0.5 \--- Successfully installed ChimeraX-PhenixUI-1.0.5 Installed ChimeraX-PhenixUI (1.0.5) > interfaces select & ~solvent Missing or invalid "atoms" argument: invalid atoms specifier > interfaces select #1/a,b Missing required "contacting" argument > interfaces select #1/a,b Missing required "contacting" argument > interfaces select & ~solvent #1/a,b Missing or invalid "atoms" argument: invalid atoms specifier > select c-h Expected an objects specifier or a keyword > select #1/c-h 39564 atoms, 39882 bonds, 2616 residues, 1 model selected Traceback (most recent call last): File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\core\triggerset.py", line 134, in invoke return self._func(self._name, data) File "C:\Users\yayin\AppData\Local\UCSF\ChimeraX\1.5\site- packages\chimerax\isolde\toolbar.py", line 299, in _selection_changed_cb self._enable_if_single_peptide_selected_cb() File "C:\Users\yayin\AppData\Local\UCSF\ChimeraX\1.5\site- packages\chimerax\isolde\toolbar.py", line 285, in _enable_if_single_peptide_selected_cb self.set_enabled(key, enable) File "C:\Users\yayin\AppData\Local\UCSF\ChimeraX\1.5\site- packages\chimerax\isolde\toolbar.py", line 113, in set_enabled self.session.toolbar.set_enabled(enabled, tab, section, display_name) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\toolbar\manager.py", line 164, in set_enabled tb.set_enabled(enabled, tab_title, section_title, button_title) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\toolbar\tool.py", line 246, in set_enabled self.ttb.set_enabled(enabled, tab_title, section_title, button_title) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\ui\widgets\tabbedtoolbar.py", line 496, in set_enabled raise ValueError(f"Didn't find section '{section_title}' in tab '{tab_title}'") ValueError: Didn't find section 'Peptide bond' in tab 'ISOLDE' Error processing trigger "selection changed": ValueError: Didn't find section 'Peptide bond' in tab 'ISOLDE' File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\ui\widgets\tabbedtoolbar.py", line 496, in set_enabled raise ValueError(f"Didn't find section '{section_title}' in tab '{tab_title}'") See log for complete Python traceback. OpenGL version: 3.3.0 - Build 27.20.100.8853 OpenGL renderer: Intel(R) Iris(R) Plus Graphics OpenGL vendor: Intel Python: 3.9.11 Locale: en_US.cp1252 Qt version: PyQt6 6.3.1, Qt 6.3.1 Qt runtime version: 6.3.2 Qt platform: windows Manufacturer: SAMSUNG ELECTRONICS CO., LTD. Model: 950QCG OS: Microsoft Windows 11 Home (Build 22000) Memory: 12,635,295,744 MaxProcessMemory: 137,438,953,344 CPU: 8 Intel(R) Core(TM) i7-1065G7 CPU @ 1.30GHz OSLanguage: en-US Installed Packages: alabaster: 0.7.12 appdirs: 1.4.4 asttokens: 2.1.0 Babel: 2.11.0 backcall: 0.2.0 biopython: 1.80 blockdiag: 3.0.0 build: 0.8.0 certifi: 2022.9.24 cftime: 1.6.2 charset-normalizer: 2.1.1 ChimeraX-AddCharge: 1.4 ChimeraX-AddH: 2.2.1 ChimeraX-AlignmentAlgorithms: 2.0 ChimeraX-AlignmentHdrs: 3.2.1 ChimeraX-AlignmentMatrices: 2.0 ChimeraX-Alignments: 2.6 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.0.3 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.0 ChimeraX-Atomic: 1.41.5 ChimeraX-AtomicLibrary: 8.0.3 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.3 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.1.2 ChimeraX-BondRot: 2.0.1 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.7.1 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.2 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.3.1 ChimeraX-ChangeChains: 1.0.2 ChimeraX-CheckWaters: 1.3 ChimeraX-ChemGroup: 2.0 ChimeraX-Clashes: 2.2.4 ChimeraX-Clipper: 0.19.0 ChimeraX-ColorActions: 1.0.3 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.2 ChimeraX-CommandLine: 1.2.4 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.5 ChimeraX-CoreFormats: 1.1 ChimeraX-coulombic: 1.3.2 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.2 ChimeraX-Dicom: 1.1 ChimeraX-DistMonitor: 1.3 ChimeraX-DockPrep: 1.0 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ExperimentalCommands: 1.0 ChimeraX-FileHistory: 1.0.1 ChimeraX-FunctionKey: 1.0.1 ChimeraX-Geometry: 1.2 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.1 ChimeraX-Hbonds: 2.4 ChimeraX-Help: 1.2.1 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-ISOLDE: 1.5 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-Label: 1.1.7 ChimeraX-ListInfo: 1.1.1 ChimeraX-Log: 1.1.5 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.8.2 ChimeraX-Map: 1.1.2 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0.1 ChimeraX-MapFilter: 2.0 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1.1 ChimeraX-Markers: 1.0.1 ChimeraX-Mask: 1.0.1 ChimeraX-MatchMaker: 2.0.9 ChimeraX-MDcrds: 2.6 ChimeraX-MedicalToolbar: 1.0.2 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1 ChimeraX-mmCIF: 2.8 ChimeraX-MMTF: 2.2 ChimeraX-Modeller: 1.5.6 ChimeraX-ModelPanel: 1.3.6 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.1 ChimeraX-MouseModes: 1.1.1 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.9.1 ChimeraX-PDB: 2.6.8 ChimeraX-PDBBio: 1.0 ChimeraX-PDBLibrary: 1.0.2 ChimeraX-PDBMatrices: 1.0 ChimeraX-Phenix: 0.3 ChimeraX-PhenixUI: 1.0.5 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1 ChimeraX-PubChem: 2.1 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.1 ChimeraX-RMF: 0.11 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 2.0.1 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.7.2 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.1.1 ChimeraX-ShowSequences: 1.0.1 ChimeraX-SideView: 1.0.1 ChimeraX-Smiles: 2.1 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.10 ChimeraX-STL: 1.0 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.1 ChimeraX-StrudelScore: 0.2 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.1.3 ChimeraX-TapeMeasure: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1.2 ChimeraX-ToolshedUtils: 1.2.1 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.24.3 ChimeraX-uniprot: 2.2.1 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.1.4 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.1 ChimeraX-WebServices: 1.1.0 ChimeraX-XMAS: 1.1.2 ChimeraX-Zone: 1.0.1 colorama: 0.4.5 comtypes: 1.1.10 cxservices: 1.2 cycler: 0.11.0 Cython: 0.29.32 debugpy: 1.6.4 decorator: 5.1.1 docutils: 0.19 entrypoints: 0.4 et-xmlfile: 1.1.0 executing: 1.2.0 filelock: 3.7.1 fonttools: 4.38.0 funcparserlib: 1.0.1 grako: 3.16.5 h5py: 3.7.0 html2text: 2020.1.16 idna: 3.4 ihm: 0.33 imagecodecs: 2022.7.31 imagesize: 1.4.1 importlib-metadata: 5.1.0 ipykernel: 6.15.3 ipython: 8.4.0 ipython-genutils: 0.2.0 jedi: 0.18.1 Jinja2: 3.1.2 jupyter-client: 7.3.4 jupyter-core: 5.1.0 kiwisolver: 1.4.4 line-profiler: 3.5.1 lxml: 4.9.1 lz4: 4.0.2 MarkupSafe: 2.1.1 matplotlib: 3.5.2 matplotlib-inline: 0.1.6 mrcfile: 1.4.3 msgpack: 1.0.4 nest-asyncio: 1.5.6 netCDF4: 1.6.0 networkx: 2.8.5 numexpr: 2.8.4 numpy: 1.23.1 openpyxl: 3.0.10 openvr: 1.23.701 packaging: 21.3 pandas: 1.5.2 ParmEd: 3.4.3 parso: 0.8.3 pep517: 0.13.0 pickleshare: 0.7.5 Pillow: 9.2.0 pip: 22.2.2 pkginfo: 1.8.3 platformdirs: 2.5.4 prompt-toolkit: 3.0.33 psutil: 5.9.1 pure-eval: 0.2.2 pycollada: 0.7.2 pydicom: 2.3.0 Pygments: 2.12.0 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 3.0.9 PyQt6-commercial: 6.3.1 PyQt6-Qt6: 6.3.2 PyQt6-sip: 13.4.0 PyQt6-WebEngine-commercial: 6.3.1 PyQt6-WebEngine-Qt6: 6.3.2 python-dateutil: 2.8.2 pytz: 2022.6 pywin32: 303 pyzmq: 24.0.1 qtconsole: 5.3.1 QtPy: 2.3.0 QtRangeSlider: 0.1.5 RandomWords: 0.4.0 recordtype: 1.4 requests: 2.28.1 scipy: 1.9.0 seaborn: 0.12.2 Send2Trash: 1.8.0 SEQCROW: 1.5.10 setuptools: 65.1.1 sfftk-rw: 0.7.2 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 Sphinx: 5.1.1 sphinx-autodoc-typehints: 1.19.1 sphinxcontrib-applehelp: 1.0.2 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 1.0.2 sphinxcontrib-htmlhelp: 2.0.0 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.3 sphinxcontrib-serializinghtml: 1.1.5 stack-data: 0.6.2 tables: 3.7.0 threed-strudel: 0.9.18 tifffile: 2022.7.31 tinyarray: 1.2.4 tomli: 2.0.1 tornado: 6.2 traitlets: 5.3.0 urllib3: 1.26.13 wcwidth: 0.2.5 webcolors: 1.12 wheel: 0.37.1 wheel-filename: 1.4.1 WMI: 1.5.1 zipp: 3.11.0
Change History (2)
comment:1 by , 3 years ago
Cc: | added |
---|---|
Component: | Unassigned → Third Party |
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → Didn't find section 'Peptide bond' in tab 'ISOLDE' |
comment:2 by , 3 years ago
Resolution: | → limitation |
---|---|
Status: | assigned → closed |
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Currently you need to restart ChimeraX after installing ISOLDE for the first time, since its additions to the ChimeraX ribbon menu are only applied on app start. Should work fine in a fresh session - please let me know if it doesn't.