Bugs item #3131614, was opened at 2010-12-07 17:36 Message generated for change (Tracker Item Submitted) made by You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3131614&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: File Input/Output Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Ben Stein () Assigned to: Bob Hanson (hansonr) Summary: Orbitals not found in NBO output. Initial Comment: The attached NBO files do not seem to be loading into jmol correctly, while the polypeptide from a previous discussion (https://sourceforge.net/tracker/?func=detail&aid=2975200&group_id=23629&atid=379136) works fine. The atom geometry loads fine, but when I attempt to plot an orbital, the following error appears: "script ERROR: no MO basis/coefficient data available for this frame". The only difference I can see is that these NBO plot files have numbers in scientific notation. Jmol 12.0.24 OS X 10.6.5 Thanks, Ben ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3131614&group_id=23629 ------------------------------------------------------------------------------ What happens now with your Lotus Notes apps - do you make another costly upgrade, or settle for being marooned without product support? Time to move off Lotus Notes and onto the cloud with Force.com, apps are easier to build, use, and manage than apps on traditional platforms. Sign up for the Lotus Notes Migration Kit to learn more. http://p.sf.net/sfu/salesforce-d2d _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
