Send the offending files my way. I will take a look. JSmol certainly loads
JVXL files. (isosurface "caffeine.jvxl") link on JSmol.htm
On Thu, Aug 28, 2014 at 3:52 PM, Pshemak Maslak <n...@psu.edu> wrote:
> I have encountered a problem working with jvxl and zip files.
>
> I have a big spartan file of cholesterol (cholesterol.spartan) with all
> MOs calculated. For a web application, I need just charges (for dipole
> vector and MEP) and the HOMO and LUMO surfaces.
>
> In Jmol (Java) app I have written separate HOMO.jvxl and LUMO.jvxl file
> using
>
> mo HOMO (with spartan file loaded)
> write MO "HOMO.jvxl"
>
> and the analogous file for the LUMO.
>
> I have saved the spartan file as cholesterol.mol2 (to preserve partial
> charge info).
>
> I have zipped the three files into a zipped folder "cholesterol.zip"
>
> I have tested it in the Java app, for example:
>
> load "cholesterol.zip|cholesterol.mol2";
> dipole molecular
>
> or
>
> load "cholesterol.zip|HOMO.jvxl";
> isosurface "cholesterol.zip|HOMO.jvxl"; isosurface mesh nofill
>
> It worked as expected.
>
> None of the files (zipped folder or jvxl files are read by JSmol
> (including here: http://chemapps.stolaf.edu/jmol/jsmol/test2.htm)
>
> I am doing something wrong?
>
> Thanks,
>
> PM
>
> P.S. I did not include zipped folder (to avoid issues with the list
> server), but I can e-mail it if needed for inspection
>
>
>
>
>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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