Thanks Bob...
Otis
--
Otis Rothenberger
o...@chemagic.org
http://chemagic.org
> On Mar 20, 2016, at 11:46 AM, Robert Hanson <hans...@stolaf.edu> wrote:
>
> OK, I found it. It got broken in Jmol 14.5.3_2016.03.06. It had to do with
> matching the SMARTS pattern "[R]" meaning "in a ring". Jmol was matching all
> atoms instead of none, so it could not do the stereochemical inversion.
>
> Will release a corrected version later today.
>
> On Fri, Mar 18, 2016 at 9:11 AM, Otis Rothenberger <osrot...@icloud.com
> <mailto:osrot...@icloud.com>> wrote:
> Bob,
>
> This comes close to my JavaScript approach:
>
> Jmol.script(jmolApplet0, 'unbind; unbind _wheelZoom; unbind "DOUBLE"; set
> picking off; set picking on; set allowRotateSelected false; set modelKitMode
> false;select *;set picking INVERTSTEREO;set echo top left;font echo 18
> serif;color echo black;echo Click C-2 to invert...');
>
> This works in 14.4.3 not 14.4.4
>
> I loaded 2-butanol prior to running the JavaScript. For some reason, if I try
> to include load $2-butanol in the above script (14.4.3 or 14.4.4), the script
> runs. BUT invert does not work. This is why I loaded 2-butanol prior to
> running the script.
>
> Don’t forget that in 14.4.4, inversion is broken in native JSmol modelkitmode
> - e.g. test2.html
>
> This is all Safari and FF.
>
> Otis
> --
> Otis Rothenberger
> o...@chemagic.org <mailto:o...@chemagic.org>
> http://chemagic.org <http://chemagic.org/>
>
> > On Mar 18, 2016, at 8:46 AM, Robert Hanson <hans...@stolaf.edu
> > <mailto:hans...@stolaf.edu>> wrote:
> >
> > I need a script that I can run, please.
> >
> > ------------------------------------------------------------------------------
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>
> ------------------------------------------------------------------------------
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> Accelerate data analysis in your applications with
> Intel Data Analytics Acceleration Library.
> Click to learn more.
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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 <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
>
> ------------------------------------------------------------------------------
> Transform Data into Opportunity.
> Accelerate data analysis in your applications with
> Intel Data Analytics Acceleration Library.
> Click to learn more.
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