Dear Bob,
many thanks for your answer.
I had a look to the paper, but it is very concise, so I would be in
doubt about how to proceed. If we (I and a young fellowship who should
help me for the site in next months) can envisage what (and how to do)
we will let you know some more. Obviously, if this feature will become
available in JMol/JSMol, this should be nice and also a great
improvement for teaching!
I will start to introduce the page I prepared in the production site,
just to let student to familiarize with the common procedure used to
approach to chirality determination. If some improvement about chirality
determination will be available in JMol/JSMol in the future, I will use
it enthusiastically. In the last two-three years, as long as my site
teaching site was produced and developed, I observed great improvement
in the student's ability to comprehend concepts and use them in solving
problems, so I will try to do all my best to make continuous site
improvements, as far as I am able to deal with programming.
Many thanks again for the time you dedicate to me,
Bye!
Pierluigi
Il 06/04/2017 14:29, Robert Hanson ha scritto:
On Thu, Apr 6, 2017 at 2:20 AM, Pierluigi Quagliotto
<pierluigi.quaglio...@unito.it <mailto:pierluigi.quaglio...@unito.it>>
wrote:
Dear All,
I prepared a page for students (on my developing server:
http://5.135.186.232/STdM/index.php/it/esercizi/esercitarsi-sulla-chiralita
<http://5.135.186.232/STdM/index.php/it/esercizi/esercitarsi-sulla-chiralita>),
in which they can:
1) write down an organic molecule in JSME
2) submit it to JSmol
3) attribute the Cahn-Ingold-Prelog priority to each group by
selecting
the first atom of each group which is attached to the Chiral
Carbon and
clicking on a button that create a label for that atom.
4) reorientate properly the molecule, in order to be able to
assign the
R / S configuration for chirality.
This is enough for me to use in classroom just to show how one should
proceed to work on exercises.
My question is: Is there a way to obtain priority (by CIP rules) for
each group attached to a Chiral Carbon? Is it possible to use some
JSmol
function(s) to obtain this information?
ho, ho! No, sorry. Can't do that. But I love the idea. In principal
the algorithm is not all that difficult.
https://www.chemcomp.com/journal/chiral.htm Maybe it's time to add that...
If the answer is yes, this could help me to modify the page to
give the
student the chance to explore the correct result by viewing a
model with
correct priority labelling and also by clicking on a button which
activate a function that perform the check.
Sorry to bothering you...
Bye!
Pierluigi Quagliotto
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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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