Hi, I'm wondering if there's a way to deal with alternate locations[1] when parsing a PDB structure, e.g.: ... ATOM 314 N AGLU A 33 41.843 42.819 -5.053 0.50 16.90 N ATOM 315 N BGLU A 33 41.873 42.790 -5.075 0.50 16.93 N ATOM 316 CA AGLU A 33 41.822 44.275 -4.919 0.50 17.68 C ATOM 317 CA BGLU A 33 41.896 44.265 -5.141 0.50 18.03 C ATOM 318 C AGLU A 33 40.468 44.909 -5.349 0.50 17.34 C ATOM 319 C BGLU A 33 40.480 44.833 -5.331 0.50 17.40 C ...
As far as I can tell, there isn't much in the documentation (but I'll be happy to be proved wrong!) Any help will be appreciated. Not sure if it makes a difference, but I'm using Python. Stefano [1] http://deposit.rcsb.org/adit/docs/pdb_atom_format.html#ATOM -- Stefano Forli, PhD Staff Scientist Molecular Graphics Laboratory Dept. of Integrative Structural and Computational Biology, MB-112F The Scripps Research Institute 10550 North Torrey Pines Road La Jolla, CA 92037-1000, USA. tel: (858) 784-2055 fax: (858) 784-2860 email: fo...@scripps.edu http://www.scripps.edu/~forli/ ------------------------------------------------------------------------------ Slashdot TV. Video for Nerds. Stuff that matters. http://tv.slashdot.org/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
