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
The JavaScript code is from 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
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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