Changes between Version 83 and Version 84 of Scripts

Timestamp:

Nov 25, 2015, 1:33:53 PM (10 years ago)

Author:

pett

Comment:

--

Scripts

@@ -72 +72 @@
  * [attachment:selLys.py selLys.py]. Select lysine NZ atoms within 8 angstroms of another lysine NZ and put distance monitors between them.  Difficult to do with normal selection language because of no way to exclude the base atoms of a zone selection from the zone test.  Tested with Chimera 1.4 daily build September 21, 2009 using PDB 1www. 
  * [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. 
- * [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.
+ * [attachment:dipole.py dipole.py]. Print dipole moment to the reply log and show dipole vector of all open molecular models.  The models must already have charges assigned.  Tested with Chimera 1.10.2 on November 25th, 2015.
  * [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.