Bugs item #3419710, was opened at 2011-10-06 11:29 Message generated for change (Tracker Item Submitted) made by jiahao You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3419710&group_id=23629
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: Algorithms Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Jiahao Chen (jiahao) Assigned to: Bob Hanson (hansonr) Summary: Molden reader does not accept coordinates in Angstroms Initial Comment: When reading a Molden file in 12.2.0, the code will fail with "Error reading file at line 2: [ATOMS] (ANGS) invalid coordinate unit (ANGS) in [Atoms]" In the file I have, that line in the Molden file is capitalized as [Atoms] Angs Looking in the source code, it looks like org/jmol/adapter/readers/quantum/MoldenReader is parsing lines in a case-sensitive manner for the unit "Angs" but the lines being read in are automatically capitalized (perhaps in readLine?). ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3419710&group_id=23629 ------------------------------------------------------------------------------ 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 _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
