OK, I see what’s doing it:
Jmol.evaluateVar(jmolApplet0,"show('chemical inchi')”) VS
Jmol.evaluateVar(jmolApplet0,"show('chemical stdinchi')”)
I did not know that Resolver would do inch and stdinchi
Otis
--
Otis Rothenberger
o...@chemagic.org
http://chemagic.org
> On Mar 7, 2016, at 1:47 AM, osrot...@icloud.com wrote:
>
> 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
>> <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 in http://chemapps.stolaf.edu/jmol/jsmol/inchi
>> <http://chemapps.stolaf.edu/jmol/jsmol/inchi>
>>
>> The JavaScript code is from https://github.com/metamolecular/inchi-js
>> <https://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 <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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