> How else could one identify which atoms in a nucleic acid residue are > backbone, sugar or purine/pyrimidine?
The code is a little strange -- I hadn't looked at it before. The real work is happening in residue.cpp::GetAtomIDNumber() which processes the properties based on the atom labels. I don't know nucleic acids all that well, but if you send me some sample files with a few annotations, I can certainly patch GetAtomIDNumber. It looks like backbone IDs are supposed to be between 7-18 from reading the code. Thanks, -Geoff ------------------------------------------------------------------------------ Join us December 9, 2009 for the Red Hat Virtual Experience, a free event focused on virtualization and cloud computing. Attend in-depth sessions from your desk. Your couch. Anywhere. http://p.sf.net/sfu/redhat-sfdev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
