Great job, Bob. Really. I will implement it on my website for my students to
use.
Sometime imagining molecules in 3D is not that easy :)
@Pierluigi. I was referring to your pages too with my compliment
Pino
----Messaggio originale----
Da: [email protected]
Data: 9-apr-2017 14.55
A: "[email protected]"<[email protected]>
Ogg: Re: [Jmol-users] Jmol 14.12.1 released -- R/S chirality
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
<[email protected]> 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
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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
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