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
> ------------------------------------------------------------------------------
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> Boundary is the first to Know...and Tell You.
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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
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