yeah, I don't know that it is worth 900 KB to get locally what you can get
from NCI/CADD, but it is cool that they were able to get that going.
I have found a bug, though, in that sometimes it can hang and then never
respond again. (Kind of like NCI...;)
On Mon, Mar 7, 2016 at 1:04 PM, Otis Rothenberger <osrot...@icloud.com>
wrote:
> Bob,
>
> I’m not completely clear on the details, but inchi has some open ended
> capability that makes it a variable identifier, thus playing havoc with
> look-up and keys. The stdinchi does not have this extended usage. Thus
> stdinchi and stdinchikey are the way to go for most look-up.
>
> Even though it’s weighty, I really like this new feature. With SMILES and
> stdinchi, Jmol really has a new cheminformatics punch. I’m learning more
> and more toward having users run the model kit locally, so I want to look
> into this stdinchi capability.
>
> Otis
>
> --
> Otis Rothenberger
> o...@chemagic.org
> http://chemagic.org
>
> > On Mar 7, 2016, at 1:44 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> >
> > Thanks, Otis -- I forgot that there were two InChI calls for NCI --
> "inchi" and "stdinchi". Changing that makes them identical.
> >
> > Bob
> >
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--
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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