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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