Bugs item #3165470, was opened at 2011-01-25 14:54 Message generated for change (Tracker Item Submitted) made by chihongan You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3165470&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: None Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: chn (chihongan) Assigned to: Nobody/Anonymous (nobody) Summary: babel 2.3 linux - wrong bond order/ doesn't print charges Initial Comment: Hi, I tried running this command "babel -ipdb fad_charged.pdb -omol fad.mol" and the fad.mol file doesn't have the correct bond order for atom 37 and atom 49 (should be -1 instead of 2 respectively), and I suppose that's why no properties were printed (should be -2 for the molecule)? Thanks. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3165470&group_id=40728 ------------------------------------------------------------------------------ Special Offer-- Download ArcSight Logger for FREE (a $49 USD value)! Finally, a world-class log management solution at an even better price-free! Download using promo code Free_Logger_4_Dev2Dev. Offer expires February 28th, so secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsight-sfd2d _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
