Changes between Version 116 and Version 117 of Scripts

Timestamp:

Jul 15, 2019, 4:17:08 PM (7 years ago)

Author:

meng

Comment:

--

Scripts

@@ -97 +97 @@
  * [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-mass.py].  Print center of mass and mass-weighted radius of gyration from that center in the Reply Log.  Tested with Chimera 1.11.2 on April 10th, 2017.
- * [attachment:radius-of-gyration.py radius-of-gyration-nomass.py].  Print center of mass and radius of gyration (not mass weighted) from that center in the Reply Log.  Tested with Chimera 1.11.2 on April 10th, 2017.
+ * [attachment:radius-of-gyration-mass.py radius-of-gyration-mass.py].  Print center of mass and mass-weighted radius of gyration from that center in the Reply Log.  Tested with Chimera 1.11.2 on April 10th, 2017.
+ * [attachment:radius-of-gyration-nomass.py radius-of-gyration-nomass.py].  Print center of mass and radius of gyration (not mass weighted) from that center in the Reply Log.  Tested with Chimera 1.11.2 on April 10th, 2017.
  * [attachment:orient.py orient.py].  Rotate every open structure so that the major axis is parallel to the Y axis and the secondary axis is parallel to the X axis.  Tested with Chimera 1.7 on March 15th, 2012.
  * [attachment:varbond.py varbond.py].  Show bond formation during a trajectory.  Usage described in [http://plato.cgl.ucsf.edu/pipermail/chimera-users/2014-April/009759.html this chimera-users message].  Tested with Chimera 1.9 on April 7th, 2014.