Bob,
No, but I really have not pushed things yet. What am I looking for -
OutOfMemory, Slowness, Other?
If I have this in a separate window, would you expect possible issues in other
windows?
Right now I'm just setting up my page and my LS communication structure.
Otis
o...@chemagic.org
On Mar 10, 2016, 9:56 PM -0500, Robert Hanson<hans...@stolaf.edu>, wrote:
> Otis, have you noticed any performance issues with the InChI add-on? I ask
> because whenI was debugging it, I noticed that it was using a 16.5MB integer
> array. I'm guessing that's the program's working heap space. Pretty
> impressive.
>
> On Thu, Mar 10, 2016 at 11:51 AM, Robert
> Hanson<hans...@stolaf.edu(mailto:hans...@stolaf.edu)>wrote:
> >
> >
> > On Thu, Mar 10, 2016 at 10:33 AM, Otis
> > Rothenberger<osrot...@icloud.com(mailto:osrot...@icloud.com)>wrote:
> > > Bob,
> > >
> > > I currently get my non-stereo inchi’s by having JME load the Jmol
> > > extracted molfile. Then I use the resulting JME non-stereo SMILES to get
> > > the the non-stereo inchi from Resolver or ChemSpider's inchi resolver. I
> > > guess I could now simply strip the stereo part of the inchi.js string,
> > > but I don’t know enough about inchi structure. Is it as simple as that?
> >
> > Sort of. They didn't make this trivial:
> >
> > https://en.wikipedia.org/wiki/International_Chemical_Identifier#Format_and_layers
> >
> >
> > 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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