Il 07/04/2017 19:38, Robert Hanson ha scritto:
I've added a "show R/S" button at
https://chemapps.stolaf.edu/jmol/jsmol/jsmetest2.htm
It just runs
label %[chirality]
background labels yellow
On Fri, Apr 7, 2017 at 12:24 PM, Robert Hanson <hans...@stolaf.edu
<mailto:hans...@stolaf.edu>> wrote:
I have that fixed in JavaScript but want to add a couple more
unrelated items before I release this the normal way. But you can
also get jsmol.zip here:
https://sourceforge.net/p/jsmol/code/HEAD/tree/trunk/dist/
<https://sourceforge.net/p/jsmol/code/HEAD/tree/trunk/dist/> and
it should be working at the St. Olaf site. For example:
<https://chemapps.stolaf.edu/jmol/jsmol/simple2.htm?load%20$(R)-2-butanol;label%20%[chirality];background%20labels%20yellow;set%20antialiasdisplay
<https://chemapps.stolaf.edu/jmol/jsmol/simple2.htm?load%20$%28R%29-2-butanol;label%20%[chirality];background%20labels%20yellow;set%20antialiasdisplay>>
On Fri, Apr 7, 2017 at 11:57 AM, pinostricc...@alice.it
<mailto:pinostricc...@alice.it> <pinostricc...@alice.it
<mailto:pinostricc...@alice.it>> wrote:
Wonderful implementation Bob and Pierluigi. Veru useful in
Organich Chemistry
Pino
----Messaggio originale----
Da: hans...@stolaf.edu <mailto:hans...@stolaf.edu>
Data: 7-apr-2017 4.25
A: "jmol-users@lists.sourceforge.net
<mailto:jmol-users@lists.sourceforge.net>"<jmol-users@lists.sourceforge.net
<mailto:jmol-users@lists.sourceforge.net>>
Ogg: [Jmol-users] check R/S chirality with Jmol
*Download Jmol-14.12.0-binary.zip (69.3 MB)
<https://sourceforge.net/projects/jmol/files/latest/download?source=files>
*
*Jmol now allows checking of R/S chirality. For example:
*
load $(R)-glycidol
print {C1}.chirality
/R/
load $cholesterol
select on chirality != ""
label %[chirality]
/8 atoms selected/
Thanks to Pierluigi Quagliotto for the suggestion to
tackle this. It was a good challenge getting it right.
Please test!
Bob
--
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
--
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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Dear Bob,
the jsmol.zip file you described in the last message, while not released
is working like a charm, on my developing site! I will try to produce
some buttons to extend the scope of the page and after a few test I will
put on the production site for extended testing.
Many thank for all!
Bye!
Pierluigi
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