Re: [PyMOL] Problems with space group recognition

2008-01-15 Thread DeLano Scientific
users-boun...@lists.sourceforge.net > [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf > Of Mark Wehner > Sent: Sunday, January 13, 2008 9:13 AM > To: pymol-users@lists.sourceforge.net > Subject: Re: [PyMOL] Problems with space group recognition > > Hi Warren, > > I used a sma

Re: [PyMOL] Problems with space group recognition

2008-01-13 Thread Mark Wehner
Hi Warren, I used a small python script to reenact the steps of xray.py. And the first problem occuring is: SgOps = sglite.SgOps(Symbols_Inp['Hall']) TypeError: 'ExtensionClass' object is not callable Before that: Symbols_Inp = sglite.SgSymbolLookup(sgsymbol) print Symbols_Inp gives a reasonab

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