Bugs item #3313786, was opened at 2011-06-08 16:22 Message generated for change (Tracker Item Submitted) made by cordon85 You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3313786&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: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Patrick Henritzi (cordon85) Assigned to: Nobody/Anonymous (nobody) Summary: Wrong angles in report class Initial Comment: Hi, I use OB 2.2.0 on a linux debian distribution. I am trying to make OB list me all bonds angles and torsions of any xyz or pdb file. Therefore I decided to convert into a .report file which does include the neccesary information. Torsions and bonds are calculated fine. But some angles are always missing and or listet multiple times. I need a quick fix or I'll have to write the routine myself to generate a topology file. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3313786&group_id=40728 ------------------------------------------------------------------------------ EditLive Enterprise is the world's most technically advanced content authoring tool. Experience the power of Track Changes, Inline Image Editing and ensure content is compliant with Accessibility Checking. http://p.sf.net/sfu/ephox-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
