Changes between Version 46 and Version 47 of Scripts


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Timestamp:
Sep 20, 2011, 12:08:28 PM (15 years ago)
Author:
pett
Comment:

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  • Scripts

    v46 v47  
    4545 * [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.
    4646 * [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.
     47
     48 * [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.