Bugs item #3423013, was opened at 2011-10-13 16:54 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3423013&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: 5 Private: No Submitted By: Noel O'Boyle (baoilleach) Assigned to: Noel O'Boyle (baoilleach) Summary: Non-tet stereo wrongly identified as tet center Initial Comment: C:\Tools\openbabel\trunk\windows-vc2008>obabel -:Cl[C@@](Br)(c1ccccc1)c1ccccc1 -osmi Cl[C@@](Br)(c1ccccc1)c1ccccc1 Wrong - not stereo C:\Tools\openbabel\trunk\windows-vc2008>obabel -:Cl[C@@](Br)(C1CCCCC1)C1CCCCC1 -osmi ClC(Br)(C1CCCCC1)C1CCCCC1 Right. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3423013&group_id=40728 ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
