Many thanks, Pino!
If you like it, my page is now online on the production site at:
http://www.iorgchem.unito.it. The page is in the menu Esercizi --->
Esercitarsi sulla Chiralità.
The page was now updated and the scope is to make students to follow the
full path:
1) assign the labels to the chiral carbon, and to the 4 substituents.
2) orientate the molecule in the proper way
3) assign the chirality by selecting the chiral carbon and substituting
the label C with R o S by clicking on the R or S button
4) check the chirality with the button "Controlla Chiralità"
At the present moment the page is intended to work for molecules having
only one chiral carbon. I should write some function to manage more
carbons (i.e the typical example of the cholesterol, should be a nice
test!) by taking action on each as a separate case. If I will have some
problem in managing this situation (it is not clear to me yet how to
do...) I will ask you!
for all who are interested into it, the English version will be ready in
a matter of minutes since I will present it to my student in less than 2
hours!
if someone has suggestions or find some bug, please let me know.
Bye! And happy JMol-iing with this novel feature!
Pierluigi
Il 09/04/2017 21:16, pinostricc...@alice.it ha scritto:
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: hans...@stolaf.edu
Data: 9-apr-2017 14.55
A:
"jmol-users@lists.sourceforge.net"<jmol-users@lists.sourceforge.net>
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
<pierluigi.quaglio...@unito.it
<mailto: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/
<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
<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
<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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