Bugs item #3365099, was opened at 2011-07-12 16:11 Message generated for change (Tracker Item Submitted) made by stewenner You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3365099&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: Library Functions Group: 2.2.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: Stewart Wenner (stewenner) Assigned to: Nobody/Anonymous (nobody) Summary: open babel fails at reading good CIF file Initial Comment: I have a program which generates python scripts that use open babel to read CIF files, perform energy calculations on them, and then output a new CIF file. It works almost always, but seems to fail on reading a few CIF files that are seemingly properly formatted. I have included a problem CIF file, the python script used to read and operate on it, and a log file of the error that is generated when this python script is run. Using Open Babel version 2.2.3, running on Ubuntu Linux ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3365099&group_id=40728 ------------------------------------------------------------------------------ AppSumo Presents a FREE Video for the SourceForge Community by Eric Ries, the creator of the Lean Startup Methodology on "Lean Startup Secrets Revealed." This video shows you how to validate your ideas, optimize your ideas and identify your business strategy. http://p.sf.net/sfu/appsumosfdev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
