Bugs item #3119577, was opened at 2010-11-26 13:22 Message generated for change (Tracker Item Submitted) made by ergo70 You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3119577&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: Library Functions Group: 2.3.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: Ernst-Georg Schmid (ergo70) Assigned to: Nobody/Anonymous (nobody) Summary: SMILES does not match itself Initial Comment: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O does not match against itself with OBSmartsPattern. It matches however with Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O which is the canonical form as reported by OB 2.3 SMI to CAN conversion. In contrast, the new VF2 matcher with QueryFromSmiles seems to match it with itself. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3119577&group_id=40728 ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
