Great! I have to say, I still can't believe this works! Wow. SMILES
structure comparison in JavaScript. Who would have thought it possible!?
It would be interesting if we could make a small component that just does
SMILES comparison equivalent to JmolSmilesApplet.jar, with no graphics at
all.
Bob
On Thu, Jan 17, 2013 at 7:00 PM, Otis Rothenberger <[email protected]>wrote:
> Thanks Bob. Looks good.
>
> I tried about 10 comparisons on my HTML5 page, and they were all correct.
>
> Otis
> --
> Otis Rothenberger
> [email protected]
> http://chemagic.com
>
>
>
>
> On Jan 17, 2013, at 7:34 PM, Robert Hanson wrote:
>
> found it! OK, that was very helpful, Otis. We now have full SMILES
> matching support, I think.
>
> load $caffeine
> print compare({*},{*},"isomer")
>
> IDENTICAL
>
>
> I've added the package
>
> coresmiles.z.js
>
>
> see
>
> http://chemapps.stolaf.edu/jmol/jsmol.zip
>
> Also, I still had a debugging comment in both JSmol and Jmol in the
> autobonding method. So that's gone now, and I noticed some problems with
> Safari 5.1 loading after I went to double precision. I think that is fixed.
> Nick, please check that problem with the pop-up menu in Safari. I might
> have fixed that. (Or there is a bug in jQuery.)
>
> Time to release Jmol 13.1.12...
>
> Bob
>
>
>
>
>
> --
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Chemistry Department
> 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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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
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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much more. Get web development skills now with LearnDevNow -
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