Hello all, I was wondering if anyone could shed any light on the H0X nomenclature applied when using the h_add.
Ideally it would be nice to get the output protonated file in the BMRB nomenclature as per (IUPAC/IUB Biochemistry 9, 3471-3479 [1970]). I have had a look at /usr/share/pyshared/chempy/protein.py (def add_hydrogens) but nothing obvious stands out. The contents of protein_residues.py and amber_99.py etc. seem to suggest that it indeed possible to write a more standard nomenclature. I just need a little help/direction. Regards Mitch ------------------------------------------------------------------------------ Beautiful is writing same markup. Internet Explorer 9 supports standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. Spend less time writing and rewriting code and more time creating great experiences on the web. Be a part of the beta today. http://p.sf.net/sfu/beautyoftheweb _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
