Yes, maybe. Good idea.
On Tue, Jun 19, 2012 at 1:07 PM, Otis Rothenberger <[email protected]>wrote:
> If you're using PubChem for small molecule load to jmol, you might find
> ChemSpider load to be useful also. The relevant URLs are:
>
> http://www.chemspider.com/inchi-resolver/REST.ashx?q=%22aspirin%22&of=csid
>
> http://www.chemspider.com/FilesHandler.ashx?type=str&3d=yes&id=2175
>
> The quotes in the first URL are important. The second URL, of course, uses
> the data from the second to load the SDF into Jmol.
>
> The one advantage of this is that the first URL takes names or SMILES.
> More importantly, the SMILES appear to be resolved regardless of generator.
> If the quotes are not used, multiple CSIDs will be returned. This latter
> point is actually of some use in partial structure/name searches.
>
> Otis
> --
> Otis Rothenberger
> [email protected]
> http://chemagic.com
>
>
>
>
>
>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
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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