From: SourceForge.net <no...@so...> - 2011-01-12 20:00:17
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Bugs item #3156530, was opened at 2011-01-12 20:00 Message generated for change (Tracker Item Submitted) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3156530&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: Applet Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Nobody/Anonymous (nobody) Assigned to: Bob Hanson (hansonr) Summary: isosurface display Initial Comment: Hello, I'm having problems displaying the homo and lumo from .cube files on the JMol applet. I have links below the applet that updates the displayed molecule so that the homo or lumo can be shown. Sometimes it works correctly. Other times only the positive or negative surface is displayed. Sometimes no surface is displayed. I am attaching screenshots of all three cases from the same molecule. I am also attaching a cube file that I use to get the isosurface info for the homo. Here is what the script looks like that updates the display of the molecule: <script type="text/javascript"> jmolInitialize("${jmol_url}"); jmolApplet(700, "load ${homo_cube_url}"); jmolSetLinkCssClass("jmol-link"); jmolBr(); jmolLink("isosurface off", "Clear"); jmolLink("isosurface off; isosurface pos color red cutoff ${doc.results.homo_contour} ${homo_cube_url}; isosurface neg color blue cutoff -${doc.results.homo_conto ur} ${homo_cube_url}", "HOMO"); jmolLink("isosurface off; isosurface pos color red cutoff ${doc.results.lumo_contour} ${lumo_cube_url}; isosurface neg color blue cutoff -${doc.results.lumo_conto ur} ${lumo_cube_url}", "LUMO"); </script> Craig ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3156530&group_id=23629 |