Bugs item #3092368, was opened at 2010-10-21 21:02 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3092368&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: File Translation Group: 2.3.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: Noel O'Boyle (baoilleach) Assigned to: Nobody/Anonymous (nobody) Summary: Roundtripping COO- through MOL2 converts to diol Initial Comment: Test case >obabel -:"CCCC(=O)(O)" -omol2 | obabel -imol2 -osmi CCCC(O)O ***** The problem is that the two 'aromatic' bonds to the oxygens are not interpreted correctly on reading. Given that CCCC(=O)[O-] gives exactly the same MOL2 file (according to Open Babel), it may be incorrect to have the bonds 'ar' in the first place for the COOH case. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3092368&group_id=40728 ------------------------------------------------------------------------------ Nokia and AT&T present the 2010 Calling All Innovators-North America contest Create new apps & games for the Nokia N8 for consumers in U.S. and Canada $10 million total in prizes - $4M cash, 500 devices, nearly $6M in marketing Develop with Nokia Qt SDK, Web Runtime, or Java and Publish to Ovi Store http://p.sf.net/sfu/nokia-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
