Bugs item #3529530, was opened at 2012-05-24 11:10 Message generated for change (Tracker Item Submitted) made by You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3529530&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: Command-line Tools Group: 2.3.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: https://www.google.com/accounts () Assigned to: Nobody/Anonymous (nobody) Summary: Valid SMILES rejected Initial Comment: Hi all, OpenBabel is giving me the error "Invalid SMILES string: 1 unmatched ring bonds." when it tries to parse the attached SMILES file (that is perfectly valid as far as I can tell). The command I'm using is: $ babel -ismi snap_10000-1.smi -opdb snap_10000.pdb And the version I'm using is: 2.3.1 Hope this helps. Cheers, Ricardo PS I'm generating the SMILES using this program: https://github.com/rhz/thermokappa/blob/master/Smiles.hs ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3529530&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
