Re: [PyMOL] Problems with space group recognition

2008-01-12 Thread Donnie Berkholz
On 11:28 Sat 12 Jan , DeLano Scientific wrote: > > Output: > > 'ObjectMolecule: Read crystal symmetry information. > > Symmetry-Error: Urecognized space group symbol 'C 1 2 1'. > > Symmetry-Error: Unable to get matrices from sglite. > > CmdLoad: "pdb/1f5n.pdb" loaded as "1f5n".' > > > > I'm us

Re: [PyMOL] Problems with space group recognition

2008-01-12 Thread DeLano Scientific
Mark, It sounds like the sglite module may not have compiled correctly. Cheers, Warren -- DeLano Scientific LLC Subscriber Support Services mailto:del...@delsci.info > -Original Message- > From: pymol-users-boun...@lists.sourceforge.net > [mailto:pymol-users-boun...@lists.sourceforge.n

[PyMOL] Changing Bfactors

2008-01-12 Thread rama krishna
Dear User, I need to color the Molecule based on generalized order parameter after running the script "data2bfactor" i used the command data2b_res 'mol','datafile' after that it shows that IOError: [Errno 2] No such file or directory: "'datafile'" i would like to know whether i need to specify pa

[PyMOL] Problems with space group recognition

2008-01-12 Thread Mark Wehner
Dear Pymol users & staff, I'm facing a problem with the recognition of space groups from (once working) valid pdb files with the last three or maybe 4 versions of Pymol. If I load any (all space groups I tested failed!) pdb file I'm able to use all features except those that are symmetry-relate