Otis is PubChem now available via ajax directly, like for NCI? That is, no
server relay and so no problem with being locked out? As soon as I get a chance
-- traveling all day today -- I will add direct NCI access in JmolCD.js. I've
sent a request for that to RCSB. If we had all three it would be terrific.
Sent from my stupid iphone
On Apr 19, 2012, at 7:31 AM, Otis Rothenberger <[email protected]> wrote:
> Very nice. I'm a believer. I need to look at the code to see how to fit this
> into our Web application.
>
> I should remind users that now that PubChem files can be loaded, MEP surfaces
> can also be displayed. It's true that the PubChem SDF's use an abbreviated
> approach to partial charges, still the MEP's still have some classroom
> utility in my opinion. I assume PubChem's abbreviated partial charges are
> rooted in making charge profile searches practical.
>
> Bob added the Jmol reading of these PubChem partial charges in 2010, I think.
>
> Otis
>
> --
> Otis Rothenberger
> [email protected]
> http://chemagic.com
>
>
>
>
> On Apr 19, 2012, at 10:13 AM, Robert Hanson wrote:
>
>> More goodies at
>>
>> http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm
>>
>> -- pubChem search
>> -- keyword lookup at RCSB
>> -- general way to swap the applet for a block of HTML information if desired
>>
>> Bob
>>
>>
>> --
>> 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
>> ------------------------------------------------------------------------------
>> For Developers, A Lot Can Happen In A Second.
>> Boundary is the first to Know...and Tell You.
>> Monitor Your Applications in Ultra-Fine Resolution. Try it FREE!
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>
> ------------------------------------------------------------------------------
> For Developers, A Lot Can Happen In A Second.
> Boundary is the first to Know...and Tell You.
> Monitor Your Applications in Ultra-Fine Resolution. Try it FREE!
> http://p.sf.net/sfu/Boundary-d2dvs2
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
------------------------------------------------------------------------------
For Developers, A Lot Can Happen In A Second.
Boundary is the first to Know...and Tell You.
Monitor Your Applications in Ultra-Fine Resolution. Try it FREE!
http://p.sf.net/sfu/Boundary-d2dvs2
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