In effect, it would be interesting to set up JMol to use aromatic
character as a default when it has to work with organic structures.
When I use it in the classical way, receving the molecule from JSME
through a call to an external server (NIH server), the 3D model shows
the double ond sof benzen
charge distribution
with MEP surfaces If it was possible to make very simple semi-empirical
calculations to let student to see and interact with the molecular
orbitals, this could be of great help for them and for the teacher also...
Wonderful job! Please let us know about novel improvements.
Dear Bob and dear all,
is it possible to use the same feature in JSmol associating it to a
button?. It would be interesting to use it to help students during
nomenclature exercises.
Thanks!
Pierluigi
2016-03-22 19:04 GMT+01:00 Luciano Abriata :
> Robert, no, I didn't know. And it's amazing!
>
Dear Bob,
many thanks!
I will update the JSMol version on my site and I will try to implement this
feature.
It should be amazing to have a naming feature that could give IUPAC names
to every (almost...) structure we can draw. I will imagine this is quite
difficult to implement.
However this nam
Pierluigi
2016-03-24 14:48 GMT+01:00 Robert Hanson :
> Great, yes.
>
> I use this feature in class a lot when I am teaching organic chemistry.
>
> On Thu, Mar 24, 2016 at 4:05 AM, Pierluigi Quagliotto <
> pierluigi.quaglio...@unito.it> wrote:
>
>> Dear Bob,
>
Dear All,
many thanks for your kind attention and all time you lost to give me some
info about the whole problem,
I had a look to the pages Otis and Bob linked, referring also to the new
topic "Let's Not Forget PubChem".
First of all, I was not fully aware of the integration of OPSIN into the
Re
ain!
Pierluigi
2016-05-10 10:40 GMT+02:00 Pierluigi Quagliotto <
pierluigi.quaglio...@unito.it>:
> Dear All,
>
> many thanks for your kind attention and all time you lost to give me some
> info about the whole problem,
>
> I had a look to the pages Otis and Bob linked, refer
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
at 2:20 AM, Pierluigi Quagliotto
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/eserci
27;ll let you know when the
page will be ready, just to see it "at work".
Bye!
Pierluigi Quagliotto
Il 07/04/2017 01:21, Robert Hanson ha scritto:
This is done.
Jmol.___JmolVersion="14.12.0" // 2017-04-06
new feature: {atom}.chirality
-- uses Cohen-Ingold-Prelog ru
does not support the property or the
method 'printStackTrace'
label %[chirality]
/8 atoms selected/
I simply transferred the jsmol dir on the server, as usual and gave
proper 755 permission and apache.apache ownership. JSMol seems to work
fine but ht euse of the new function gave
?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 %[chir
>
*
*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/
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
hat 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
mailto:pierluigi.quaglio...@unito.it>> wrote:
Many thanks, Bob!
Bye!
Dear Bob,
many thanks for the crucial update!
Yesterday I have published on the site the page for the step-by-step
chirality assignment procedure.
It should be intended for compound having only one chiral carbon since I
did not implemented yet any function to take into account the presence
Dear Bob,
Sorry... I forgot to add the address of the production site:
http://www.iorgchem.unito.it/index.php/en/exercises/practice-on-chirality
bye!
Pierluigi
il 10/04/2017 04:44, Robert Hanson ha scritto:
https://sourceforge.net/projects/jmol/files/Jmol/Version%2014.13/Jmol%2014.13.1/
Jm
t extreme examples
provided by Mikko Vainio that caught a couple of bugs.
On Sun, Apr 9, 2017 at 3:46 AM, Pierluigi Quagliotto
mailto:pierluigi.quaglio...@unito.it>> wrote:
Many thanks, Bob!
Bye!
Pierluigi
Il 08/04/2017 03:54, Robert H
Many thanks, Bob!
Wonderful news! I am waiting for the availability of the release to
imrpove my page on chirality and to prepare also a page to introduce all
the steps needed to assign E/Z configurations.
Bye!
Pierluigi
Il 20/04/2017 06:28, Robert Hanson ha scritto:
Jmol.___JmolVersion="1
he use of
JSME/JSMOL into the Joomla CMS, I would take the opportunity of the
Bob's request for a review into the sourceforge site to write something
and cite also this opportunitty to use JSMOL into the Joomla CMS
container, obviously when I will get it working... ;)
Sorry to bother you,
oblems and
to get new ideas, like your code helped me).
Many thanks again!
Best regards,
Pierluigi Quagliotto
Inviato da iPad
> Il giorno 14/mar/2014, alle ore 00:01, Robert Hanson ha
> scritto:
>
> Pierluigi,
>
> Welcome!
>
> That message indicates that your
Joomla and people searching for both
Joomla and chemistry will be aware of JSMol!
Many thanks for your kindness and for the help!
Best regards,
Pierluigi Quagliotto
At 00.01 14/03/2014, you wrote:
>into the Joomla CMS?
Dr. Pierluigi Quagliotto - Ph.D. in Chemical Sciences
Faculty Researc
MOL into the Joomla CMS, I would take the opportunity of the
> >Bob's request for a review into the sourceforge site to write something
> >and cite also this opportunitty to use JSMOL into the Joomla CMS
> >container, obviously when I will get it working... ;)
>
_
>Jmol-users mailing list
>Jmol-users@lists.sourceforge.net
>https://lists.sourceforge.net/lists/listinfo/jmol-users
Dr. Pierluigi Quagliotto - Ph.D. in Chemical Sciences
Faculty Researcher
Università degli Studi di Torino
Dipartimento di Chimica
via Pietro Giuria 7, 1012
Dear Angel,
That's OK.
We will see what I will be able to obtain...! The local version of the site
works properly now, with JSMol. I would hope to get my site on-line in a fast
way, to obtain final considerations and to let you see the final results. The
use of JSME and JSMol in this site is
The same happened to me on iPad first and after on PC and Mac.
Best regards,
Pierluigi Quagliotto
Inviato da iPad
Il giorno 05/apr/2014, alle ore 18:16, Pshemak Maslak ha scritto:
>
> http://chemapps.stolaf.edu/jmol/jsmol/jsv_jme.htm
> http://chemapps.stolaf.edu/jmol/jsmol/jsv_pre
Bob,
many thanks for your information about the EPFL server failure.
Regards,
Pierluigi Quagliotto
At 22.48 05/04/2014, you wrote:
>This indicates a server failure. The direct test
>of that site is
><http://chemapps.stolaf.edu/jmol/jsmol/testEPFL.htm>http://chemapps.stolaf
permit to introduce code to simpel users.
Good luck!
Pierluigi Quagliotto
Inviato da iPad
Il giorno 16/mag/2014, alle ore 15:36, Angel Herráez ha
scritto:
> Brenton,
>
> That's not easy. Not just a question of how to edit html code, but
> blogs have their underlying
Sorry for some unwanted english mistakes, but I am writing from iPad and the
automated corrector changed something here and there
Inviato da iPad
Il giorno 16/mag/2014, alle ore 21:34, Pierluigi Quagliotto
ha scritto:
> Dear Brenton, and Dear Angel,
>
> The task could no
... ...but
if you think that the users can play a role, it would be a pleasure to be
of help.
Please let me know and I will try to send a message.
Bye,
Pierluigi Quagliotto
2014-08-31 13:02 GMT+02:00 Jaime Prilusky :
> Bob,
>
> Can you please provide a template letter?
>
> Jaim
n all JSmol pages implemented to date?
>
>
>
>
> On Sun, Aug 31, 2014 at 8:30 PM, Pierluigi Quagliotto <
> pierluigi.quaglio...@unito.it> wrote:
>
>> Dear Bob,
>>
>> Would it be opportune and sufficient an intervention by someone like me,
>> who have
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