On Oct 14, 2010, at 4:44 AM, Noel O'Boyle wrote: > I'd prefer to make the implicit COO change, and file a bug on the > PDB for addressing at some point in the future.
If this is causing incorrect formulas for SMILES, we should make this fix. Since we don't know yet if there is an actual PDB issue, I'd suggest we hold off on filing a bug. If there's a real issue with PDB, we'll know very soon. -Geoff ------------------------------------------------------------------------------ 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 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
