I will release another version of Jmol later today that has been pretty
heavily validated using some excellent extreme examples provided by Mikko
Vainio that caught a couple of bugs.
On Sun, Apr 9, 2017 at 3:46 AM, Pierluigi Quagliotto <
pierluigi.quaglio...@unito.it> wrote:
> Many thanks, Bob!
>
> Bye!
>
> Pierluigi
>
>
>
> Il 08/04/2017 03:54, Robert Hanson ha scritto:
>
> https://sourceforge.net/projects/jmol/files/Jmol/Version%
> 2014.12/Jmol%2014.12.1/
>
>
> Jmol.___JmolVersion="14.12.1"
>
> bug fix: NBO update
> bug fix: JavaScript bug - missing Math.signum(f) - causes
> {atom}.chirality to not work in JSmol
>
> JmolVersion="14.12.0" // 2017-04-06
>
> new feature: {atom}.chirality
> -- also SELECT chirality = 'R'# or SELECT chirality != ""
> -- uses Cahn-Ingold-Prelog rules to assign R or S to a carbon center
> -- ignores sulfur chirality
> -- may not fully implement high symmetry cases
> -- not fully tested
>
>
>
> --
> Robert M. Hanson
> Larson-Anderson Professor 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
>
>
>
> --
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
>
>
>
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>
>
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>
--
Robert M. Hanson
Larson-Anderson Professor 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
--
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot___
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