Changes between Version 35 and Version 36 of Scripts


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Timestamp:
May 12, 2010, 5:10:03 PM (16 years ago)
Author:
pett
Comment:

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  • Scripts

    v35 v36  
    3434 * [attachment:disulphide.py disulphide.py]. Create disulphide bonds between unprotonated CYS SG atoms that are not already disulphide bonded and that meet reasonable bond-distance criteria.  Tested with Chimera 1.4 daily build November 11, 2009 using PDB 1gc1.
    3535 * [attachment:dipole.py dipole.py]. Print dipole moment of all open molecular models to the reply log.  The models must already have charges assigned.  Tested with Chimera 1.4 on February 8th, 2010.
    36  * [attachment:torspace.py torspace.py]. Drive a torsion angle through 360 degrees and make a volume data set from the atom positions.  Tested with Chimera 1.5 on May 12th, 2010.  Could be improved by checking for clashes and by having occupancy vary based on VDW radius.
     36 * [attachment:torspace.py torspace.py]. Drive a torsion angle through 360 degrees and make a volume data set from the atom positions.  Tested with Chimera 1.5 on May 12th, 2010.  Could be improved by checking for clashes and by having occupancy vary based on VDW radius.  Written by Miguel Ortiz-Lombardia.