Re: [Jmol-users] R: check R/S chirality with Jmol
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
--
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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--
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
--
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
___
Jmol-users mailing list
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https://lists.sourceforge.net/lists/listinfo/jmol-users
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
--
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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Re: [Jmol-users] R: check R/S chirality with Jmol
Dear Bob,
Sorry for the delay in answering. I was very busy with Unviersity
activities and when i tried to post this message from my iPad it was
sent from the cloud.me <http://cloud.me> account and was refused from
the list manager system.
Jmol is working at its best! I had a look but I did not have time yet
to inform you about it.
Due to the new functionality It is now possible to ask a student how
many chiral carbons he can individuate into a molecule and probably this
could be done also leaving the student to make a selection on the
molecule and compare the result obtained using the selection piece of
script you showed in the examples. Also, this feature eliminate the
problem I had, to make exercises on molecules having only one chiral
sterocenter. Now, every chiral stereocenter can be individuated and
properly managed.
For people teaching Organic Chemistry this is an enormous advance. I
could imagine that by using the selection functions you implemented time
ago, for a biochemist it could be easy to individuate an unnatural amino
acid or sugar (for which the difference is only the stereochemistry) in
a complex biopolymer.
You did it on my birthday, so I would take this great advance as a
"present" that I can share with everyone, student or teacher, who is
interested in chemistry. Many thanks also for this.
I will introduce some notes on my site to explain that the new page
should be taken with care because it is "under testing" and I will ask
everyone doing exercises to inform us about problems and accuracy problems.
@Pino (who wrote in the meantime...): I only made a request for info to
Bob... He worked hard, and JMol/JSMol made a "quantum leap"! JMol is
always a piece of "magic".
Many thanks again!
Bye!
Pierluigi
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 $cholesterol
select on chirality != ""
label %[chirality]
/8 atoms selected/
Thanks to Pierluigi Quagliotto for the suggestion to
tackle this. It was a good challenge getting it right.
Please test!
Bob
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
<http://www.stolaf.edu/people/hansonr>
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
--
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
___
Jmol-users mailing list
J
Re: [Jmol-users] R: check R/S chirality with Jmol
I've added a "show R/S" button at
https://chemapps.stolaf.edu/jmol/jsmol/jsmetest2.htm
It just runs
label %[chirality]
background labels yellow
On Fri, Apr 7, 2017 at 12:24 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> I have that fixed in JavaScript but want to add a couple more unrelated
> items before I release this the normal way. But you can also get jsmol.zip
> here: https://sourceforge.net/p/jsmol/code/HEAD/tree/trunk/dist/ and it
> should be working at the St. Olaf site. For example: <
> https://chemapps.stolaf.edu/jmol/jsmol/simple2.htm?load%
> 20$(R)-2-butanol;label%20%[chirality];background%20labels%20yellow;set%
> 20antialiasdisplay>
>
>
> On Fri, Apr 7, 2017 at 11:57 AM, pinostricc...@alice.it <
> pinostricc...@alice.it> wrote:
>
>> Wonderful implementation Bob and Pierluigi. Veru useful in Organich
>> Chemistry
>> Pino
>>
>> Messaggio originale----
>> Da: hans...@stolaf.edu
>> Data: 7-apr-2017 4.25
>> A: "jmol-users@lists.sourceforge.net"<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
>>
>>
>> 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
>> ___
>> Jmol-users mailing list
>> Jmol-users@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>>
>
>
> --
> 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
>
>
--
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___
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
Re: [Jmol-users] R: check R/S chirality with Jmol
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/ 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
>
On Fri, Apr 7, 2017 at 11:57 AM, pinostricc...@alice.it <
pinostricc...@alice.it> wrote:
> Wonderful implementation Bob and Pierluigi. Veru useful in Organich
> Chemistry
> Pino
>
> Messaggio originale
> Da: hans...@stolaf.edu
> Data: 7-apr-2017 4.25
> A: "jmol-users@lists.sourceforge.net"<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
>
>
> 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
> ___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
--
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___
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
[Jmol-users] R: check R/S chirality with Jmol
Wonderful implementation Bob and Pierluigi. Veru useful in Organich Chemistry
Pino
Messaggio originale
Da: hans...@stolaf.edu
Data: 7-apr-2017 4.25
A: "jmol-users@lists.sourceforge.net"<jmol-users@lists.sourceforge.net>
Ogg: [Jmol-users] check R/S chirality with Jmol
Download Jmol-14.12.0-binary.zip (69.3 MB)
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
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___
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
