Roger, Sorry Roger, this isn't possible at present, but it will be in the future...
Cheers, Warren ________________________________________ From: Roger Rowlett [mailto:rrowl...@mail.colgate.edu] Sent: Wednesday, April 08, 2009 8:18 AM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] (Simple) unit cell construction Is there a relatively simply way to get pymol to populate a unit cell with exactly the correct number of copies of the asymmetric unit, i.e., similar to the Uppsala software factory utility XPAND or the "Build Crystallographic Symmetry" command in SPDBV? Ideally, it would be helpful to perform the symmetry operations on the ASU, and then have the ability to translate errant symmetry copies by +/- a,b, or c to get an intelligent packing of the unit cell box. The "symexp" command is contact-distance controlled, and is better for inspecting crystal packing than for creating nice "fluff" images of unit cells. Cheers, -- ________________________________________ Roger S. Rowlett Professor Colgate University Presidential Scholar Department of Chemistry Colgate University 13 Oak Drive Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: rrowl...@mail.colgate.edu
