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,
>
> 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 naming feature based on NCI database is very interesting, at
> least to give students and visitors of my site to have a chance to find a
> coorect name. The other option to have a name is to draw a structure, and
> naming it with the student ability and let the student to check it by using
> OPSIN to get the structure. if the name is correct the structure will be
> the same the student has drawn. A bit more complicated, but the students
> could improve their ability in writing formulas correctly and naming them.
>
> I will elt you know about the improving of my site.
>
> Thanks again and bye!
>
> Pierluigi
>
> 2016-03-23 19:42 GMT+01:00 Robert Hanson <hans...@stolaf.edu>:
>
>> Nothing stops you from adding that to your pages, Pierluigi! :)
>>
>> In answer to the question, the name/SMILES, SMILES/name and
>> SMILES/structure conversion is going through the NCI CACTVS resolver, which
>> is just a fantastic resource.
>>
>> structure/SMILES conversion is done within Jmol unless it is
>>
>> print {*}.find("SMILES/NCI")
>> print {*}.find("SMILES/canonical")
>>
>> (these are just two ways of requesting the same thing)
>>
>> in which case it goes through NCI
>>
>>
>> Bob
>>
>>
>>
>>
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>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department 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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