Jmol.___JmolVersion="14.3.9_2014.11.24"
new feature: isosurface "==1blu" -- difference map; defaults to sigma=3
On Mon, Nov 24, 2014 at 8:39 PM, Robert Hanson <[email protected]> wrote:
> (how many sigma?)
>
> On Mon, Nov 24, 2014 at 8:24 PM, Robert Hanson <[email protected]> wrote:
>
>> How do you set the cutoff for that?
>>
>> Note that you can use the full call directly:
>>
>> isosurface "http://eds.bmc.uu.se/eds/dfs/bl/1blu/1blu_diff.omap";
>>
>>
>>
>> On Mon, Nov 24, 2014 at 5:01 PM, Dale Tronrud <[email protected]>
>> wrote:
>>
>>> -----BEGIN PGP SIGNED MESSAGE-----
>>> Hash: SHA1
>>>
>>>
>>> I would like to display both the 2Fo-Fc and Fo-Fc maps from the
>>> Electron Density Server at the same time. When I issue the command
>>> "ISOSURFACE =3EOJ" for example, I get the 2Fo-Fc map, but I don't see
>>> a syntax for getting the difference map.
>>>
>>> If I could change edsUrlFormat to change the downloaded file name I
>>> expect that ISOSURFACE would download the map I want, but I don't see
>>> how to access such jsmol internals while within a jsmol script.
>>>
>>> Any advice on how to do this would be appreciated.
>>>
>>> Dale Tronrud
>>>
>>> FYI: The value of edsUrlFormat that I want is
>>> "http://eds/bmc.uu.se/eds/dfs/%LC13/%LCFILE/%LCFILE_diff.omap";.
>>> -----BEGIN PGP SIGNATURE-----
>>> Version: GnuPG v2.0.22 (MingW32)
>>>
>>> iEYEARECAAYFAlRzuMkACgkQU5C0gGfAG12xLwCePdn5uz7ZiR/xBYBuI6qgr6Vq
>>> fVYAoJwYtDShZk4iXRJkpMldpNGvgU4O
>>> =eJbs
>>> -----END PGP SIGNATURE-----
>>>
>>>
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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
>>
>>
>
>
> --
> 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
>
>
--
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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