Changes between Version 51 and Version 52 of Scripts

Timestamp:

Feb 15, 2012, 4:23:57 PM (14 years ago)

Author:

pett

Comment:

--

Scripts

@@ -48 +48 @@
  * [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.
  * [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.
- * [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.
+ * [attachment:radius-of-gyration.py radius-of-gyration.py].  Print center of mass and mass-weighted radius of gyration from that center in the Reply Log.  Tested with Chimera 1.7 on February 15th, 2012.