Bugs item #3536261, was opened at 2012-06-19 03:53 Message generated for change (Tracker Item Submitted) made by You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3536261&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: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: https://www.google.com/accounts () Assigned to: Nobody/Anonymous (nobody) Summary: SMARTS matching failure Initial Comment: Hi, I'm using the C++ API of Open Babel 2.3.1, and the SMARTS matching is not behaving as I would expect. If I read in the following molecule: CC(=O)[NH] and then look for this SMARTS pattern: [ND1H1][#6] the parser fails to match it. Interestingly, it does find a match for [ND2H1][#6]. I'm not sure whether the problem lies in the SMILES parsing (the molecule is a radical), or the matcher itself. Daylight correctly finds the matching atom. Any further questions, please contact me at paul dot mortenson _at_ astx dot com Thanks to all for your continued work! Paul Mortenson ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3536261&group_id=40728 ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
