Hi Jason, about the bug with 2bop, it's just the spacegroup which is mapped wrong I think. If the PDB file is assigned correct, then 'R 3 2' should map to the matrices which are stored for 'R 3 2 :R' within pymol (xray.py).
Hack to get correct result: fetch 2bop sym = cmd.get_symmetry('2bop') sym[-1] = 'R 3 2 :R' cmd.set_symmetry('2bop', *sym) symexp mates, 2bop, 2bop, 6.0 Cheers, Thomas Jason Vertrees wrote, On 04/16/10 05:39: > 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