Bugs item #3089953, was opened at 2010-10-18 15:02 Message generated for change (Tracker Item Submitted) made by ghutchis You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3089953&group_id=40728
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: Stereochemistry Group: 2.3.x Status: Open Resolution: None Priority: 7 Private: No Submitted By: Geoff Hutchison (ghutchis) Assigned to: Nobody/Anonymous (nobody) Summary: Wedge/Hash Stereo ignored in SD File Initial Comment: This is a continuation of Igor's bug report #2412105. In v2.3.0rc1, the 3rd molecule in this SD file seems to have incorrect SMILES stereochemistry -- the wedge/hash notation in the rings appears to be ignored. As a result, the InChI generated by Open Babel and inichi.exe are different. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3089953&group_id=40728 ------------------------------------------------------------------------------ Download new Adobe(R) Flash(R) Builder(TM) 4 The new Adobe(R) Flex(R) 4 and Flash(R) Builder(TM) 4 (formerly Flex(R) Builder(TM)) enable the development of rich applications that run across multiple browsers and platforms. Download your free trials today! http://p.sf.net/sfu/adobe-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
