Hi Nick, > I noticed a few things: > > - when I run "supercell 2, 1, 1" I get another cell outline along the > a axis, but no atoms are shown in the second cell. Do I have to run > another command for them to show up?
the script does not create symmetry mates. The "symexp" command can create symmetry mates within a given radius (it will not just fill up the cell). > - when I run the command again with other values for a, b, or c, > nothing changes. I would expect that running the sequence "supercell > 2, 1, 1" and then "supercell 2, 2, 1" would show me a 2x2x1 supercell > at the end, but I see only the 2x1x1 supercell. the second call will create a new state for the same object. This is not convenient, so I changed it to replace the first state again. I put the modified script to the PyMOLWiki: http://www.pymolwiki.org/index.php/Supercell Cheers, Thomas ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
