Re: [PyMOL] Symmetry Expansion

2010-04-17 Thread Jason Vertrees
Thomas, Thanks for clue. The mapping was broken for all proteins in the R 3 2 space group. I've fixed it and pushed the update to the open-source. If anyone finds more bugs along this line, please let me know. Cheers, -- Jason On Sat, Apr 17, 2010 at 5:42 AM, Thomas Holder

Re: [PyMOL] Symmetry Expansion

2010-04-16 Thread Thomas Holder
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

Re: [PyMOL] Symmetry Expansion

2010-04-16 Thread Jason Vertrees
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

[PyMOL] Symmetry Expansion

2010-04-15 Thread Jason Vertrees
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: