From: SourceForge.net <no...@so...> - 2011-09-23 21:17:00
|
Bugs item #3413444, was opened at 2011-09-23 16:17 Message generated for change (Tracker Item Submitted) made by rkanters You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3413444&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: Graphics Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Rene Kanters (rkanters) Assigned to: Bob Hanson (hansonr) Summary: MOs not showing for molden file Initial Comment: Hi, I just, after a long time, updated the Jmol source with the repository and for one reason or another a molden file that works properly (after forcing it to consider it as a molden file since the header has ' [Molden Format]' with Jmol Version: 12.0.49 2011-07-30 15:57, does not show the molecular orbitals. I traced the interpretation of the file and it seems to me that it still indeed reads the orbitals and all, but doesn't display them. A test with the Jmol-datafiles molden sample water_novib.molden show that for that one I am able to show orbitals, so I am completely confused here. I was hoping to change if (leader.startsWith(recordTag)) (line 452 in Resolver.java) to if (leader.trim().startsWith(recordTag)) so that leading spaces in the header would get ignored (and hoping that that would not break any other readers). I'll try to attach the gzipped archive of the file to this report. Thanks, René ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3413444&group_id=23629 |