OK, that's fixed.
http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip
Note that you cannot reassign red/blue coloration for molecular orbitals,
but I'll see if I can fix that.
-- also has fixes for dynamic visual docking... with minimization... ;)
Bob
On Mon, Aug 1, 2011 at 5:41 PM, Robert Hanson <[email protected]> wrote:
> Ah... OK. I thought I had checked that. It's happening because JVXL files
> now save all the coloring information. But still, you should be able to
> override that with a color option. I'll get back to you on this....
>
>
> 2011/8/1 Angel Herráez <[email protected]>
>
>> Apparently 12.2.RC1 has broken loading an isosurface from file and
>> coloring it in the same
>> command.
>>
>> This was working with 12.1.x:
>> isosurface alfa2 color [xD176FD] test.jvxl;
>>
>> in 12.2.RC1 the color is not applied (orange default).
>>
>> Doing it this way works:
>> isosurface alfa2 color [xD176FD] test.jvxl; color $alfa2 [xD176FD];
>>
>>
>> The jvxl files were created with 12.1; their header says
>> <?xml version="1.0"?>
>> <jvxl version="2.2" jmolVersion="Jmol 12.1.50 2011-06-18 00:12"
>> xmlns="http://jmol.org/jvxl_schema"; xmlns:cml="
>> http://www.xml-cml.org/schema";>
>>
>>
>>
>>
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>
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> 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
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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