Hi all, I've been fixing some chirality problems (enough for a patch release I'd say) but I seem to have triggered a failure in the shuffle test. I haven't looked into it - just to let people know I'm aware of it.
The original problem was that conversion from a 3D format that did not call the stereo routines (e.g. XYZ) to a format that required stereo centers (e.g. SMI) resulted in loss of all stereo. So all my testing of SDF<->InChI<->CML<->SMI never identified this problem. This is fixed now, but it looks like I've perturbed the shuffle... - Noel ------------------------------------------------------------------------------ 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/msIE9-sfdev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
