On 7/20/2014 6:02 AM, Jim Parker wrote: > Dima, > "_atom_site_label" came from the old post I found on this list at the > link provided (and repeated here)...
Ah. My problem is going the other way: labeling atoms in a way PDB likes. Yours is finding out what CIF parsing module actually extracts and how to get to it. Different story, then. The post seems to suggest that this gets lost in translation. :-( Dima ------------------------------------------------------------------------------ Want fast and easy access to all the code in your enterprise? Index and search up to 200,000 lines of code with a free copy of Black Duck Code Sight - the same software that powers the world's largest code search on Ohloh, the Black Duck Open Hub! Try it now. http://p.sf.net/sfu/bds _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
