Bob,
Neat.
I'm a bit confused by the Resolver InChI report. It states 1/... "Calculate
here" shows 1S/...
I think Resolver only reports 1S/... - standard InChI.
Are the results possibly cross-reported? One is standard InChI and the other is
not.
Otis
--
Otis Rothenberger
o...@chemagic.org
http://chemagic.org
On Mar 7, 2016, 1:09 AM -0500, Robert Hanson<hans...@stolaf.edu>, wrote:
>
> http://chemapps.stolaf.edu/jmol/jsmol/inchi.htm
>
> demonstrates a new option - calculating an InChI in JavaScript from a JSmol
> model.
>
> The InChI code is a bit heavy -- 800K.
>
> Interesting to compare with what NCI/CADD returns.
>
> Necessary files are inhttp://chemapps.stolaf.edu/jmol/jsmol/inchi
>
> The JavaScript code is fromhttps://github.com/metamolecular/inchi-js
>
> Bob
>
> --
> 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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