Bugs item #3417992, was opened at 2011-10-03 12:02 Message generated for change (Tracker Item Submitted) made by gmagoon You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3417992&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: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Gregory Magoon (gmagoon) Assigned to: Nobody/Anonymous (nobody) Summary: MOPAC to MOL gives segmentation fault Initial Comment: With OpenBabel 2.2.3, I get a segmentation fault when converting the attached MOPAC output file to a MOL file (see below). Most other MOPAC files are processed as expected, without error. Also, I tried processing the same file with the OpenBabel 2.2.0 GUI (on a separate system) and the conversion to MOL file seemed to work properly. gmagoon@pharos:~/threeDcheck_testdir$ babel -imoo QMfiles/PFGQIDLYXOTKNT-UHFFFAOYAN.out -omol QMfiles/PFGQIDLYXOTKNT-UHFFFAOYAN.mol2 ---errorlevel 5 ============================== *** Open Babel Audit Log in ReadChemObjectImpl OpenBabel::Read molecule MOPAC Output format ============================== *** Open Babel Audit Log in Clear Ran OpenBabel::Clear Molecule ============================== *** Open Babel Audit Log in Clear Ran OpenBabel::Clear Molecule ============================== *** Open Babel Audit Log in Clear Ran OpenBabel::Clear Molecule ============================== *** Open Babel Audit Log in Clear Ran OpenBabel::Clear Molecule Segmentation fault ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3417992&group_id=40728 ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2dcopy1 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
