Changes between Version 50 and Version 51 of Scripts


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Timestamp:
Feb 15, 2012, 12:09:03 PM (14 years ago)
Author:
pett
Comment:

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  • Scripts

    v50 v51  
    4848 * [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.
    4949 * [attachment:smoothMD.py smoothMD.py].  Rewrite a trajectory with averaged coordinates using nearby frames to produce smoother-looking motions.  Usage described in [http://plato.cgl.ucsf.edu/pipermail/chimera-users/2008-April/002496.html this chimera-users message].  Tested with Chimera 1.6 on September 20th, 2011.
     50 * [attachment:radius-of-gyration.py radius-of-gyration.py].  Print center of geometry and radius of gyration from that center in the Reply Log.  Tested with Chimera 1.7 on February 15th, 2012.