Changes between Version 13 and Version 14 of Scripts

Timestamp:

Aug 3, 2009, 5:34:56 PM (17 years ago)

Author:

pett

Comment:

--

Scripts

@@ -10 +10 @@
  * [attachment:quality.py quality.py]. Set the subdivision quality.  Gives smooth appearance to molecule models. Tested with Chimera 1.3.
  * [attachment:aniso.py aniso.py]. Anisotropic b-factors shown as ellipsoids for selected atoms using PDB ANISOU records. Tested with Chimera 1.4 daily build July 14, 2009 using PDB 1xy1.
- * [attachment:match.py match.py]. Match chain A of two open molecules and report RMSD and atom pairings to Reply Log. Tested with Chimera 1.3 using PDBs 3fx2 and 1gcn.
+ * [attachment:match.py match.py]. Match chain A of two open molecules and report RMSD and atom pairings to Reply Log. Tested with Chimera 1.3 using PDBs 3fx2 and 1gcn. 
+ * [attachment:pqr2chimera.py pqr2chimera.py]. Split a PQR file into a PDB file that Chimera can read (chimera.pdb) and a [http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/defattr.html defattr file] (chimera.defattr) for assigning the PQR charge attributes if preferred to Chimera charges. Script should be run using Python from a shell rather than inside Chimera.  The defattr may be processed slowly by Chimera due to using "@/serialNumber" selector -- script could be probably be speeded up by moving to ":res@atom" style selectors.  Tested with Chimera 1.4 daily build August 3, 2009.