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 reasonable output. Any idea what I'm doing wrong here? Regards, Mark PS: The compiler isn't throwing any errors at compile time. I downgraded one gcc version to test if it's my gcc version, but still no sucess... Do you see any problematic flags here? x86_64-pc-linux-gnu-gcc -pthread -fno-strict-aliasing -march=nocona -Os -pipe -fPIC -DPythonTypes -Icontrib/sglite -Icontrib/modules -I/usr/include/python2.5 -c contrib/sglite/runtests.c -o build/temp.linux-x86_64-2.5/contrib/sglite/runtests.o On Saturday 12 January 2008, you wrote: > 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.net] On Behalf > > Of Mark Wehner > > Sent: Saturday, January 12, 2008 4:07 AM > > To: pymol-users@lists.sourceforge.net > > Subject: [PyMOL] Problems with space group recognition > > > > 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-related; especially I need to > > generate symmetry mates for certain proteins. The output is > > already pointing to an error, but I can't find the error in > > the source code... > > > > 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 using Gentoo Linux and compiled against Python 2.5 using > > gcc-4.1.2 on a 64-bit architecture (not using too much > > optimization [-Os]). > > > > Any help on this would be greatly appreciated. Thanks in advance. > > Mark Wehner > > > > -------------------------------------------------------------- > > ----------- > > Check out the new SourceForge.net Marketplace. > > It's the best place to buy or sell services for just about > > anything Open Source. > > http://ad.doubleclick.net/clk;164216239;13503038;w?http://sf.n > > et/marketplace > > > _______________________________________________ > > PyMOL-users mailing list > > PyMOL-users@lists.sourceforge.net > > https://lists.sourceforge.net/lists/listinfo/pymol-users
