Hi Jason, the result of "symexp" is not supposed to be the biological unit, right? It produces any symmetry mate, whereas your ManualSymExp reads the REMARK 350 which is the annotated biological unit. It is a very useful script, but has a bug: If there is more then one biomolecule annotated, for example if the asymetric unit has multiple copies of the biological unit, you should only generate the first biomolecule I think. Try 2x1g (has 2 biomolecules in asymetric unit).
Cheers, Thomas On Thu, 2010-04-15 at 23:39 -0400, Jason Vertrees wrote: > PyMOLers, > > A bug was brought to my attention to day in the symmetry expansion > command (try it on 2bop). If you have issues with the symexp command > in your work, please check out the hastily-written and really-slow, > but correct (for my test cases), manual symmetry expansion script: > http://pymolwiki.org/index.php/ManualSymExp. > > I am working on a fix. > > Last, PyMOLers wrote three other cool scripts and deposited them on > the wiki this week--check those out, too. > > Cheers, > > -- Jason > ------------------------------------------------------------------------------ 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
