Bugs item #3295021, was opened at 2011-04-30 03:26 Message generated for change (Tracker Item Submitted) made by j-tyler You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3295021&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: 3.0 Status: Open Resolution: None Priority: 5 Private: No Submitted By: Jack (j-tyler) Assigned to: Nobody/Anonymous (nobody) Summary: Mistranslation of hydrogens Initial Comment: Not sure if I'm just clueless or this is a genuine bug, however when converting from cdxml to pdb (for docking modelling basically) I always end up with extra hydrogens being added to my heterocycle. It is cyclam (a tetraazamacrocycle, containing 4 N atoms as part of a ring, each of which bears 1H) and the C-NH-C that is drawn in ChemDraw always ends up as C-NH2-C after converting to pdb. Any help would be appreciated. Thanks. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3295021&group_id=40728 ------------------------------------------------------------------------------ WhatsUp Gold - Download Free Network Management Software The most intuitive, comprehensive, and cost-effective network management toolset available today. Delivers lowest initial acquisition cost and overall TCO of any competing solution. http://p.sf.net/sfu/whatsupgold-sd _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
