Thomas, You're right--thanks for the correction. The script is now called BiologicalUnit.
-- Jason On Fri, Apr 16, 2010 at 7:34 AM, Thomas Holder <spel...@users.sourceforge.net> wrote: > 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 >> > > > -- Jason Vertrees, PhD PyMOL Product Manager Schrodinger, LLC (e) jason.vertr...@schrodinger.com (o) +1 (603) 374-7120 ------------------------------------------------------------------------------ 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
