From: Frederic Denonne (frederic.denonne$##$iecb-polytechnique.u-bordeaux.fr)
Date: Thu Jun 17 1999 - 04:29:02 EDT
>About Structures in E-mails.
>There is a format called SMILES which allowes structures to be
encoded/decoded
>for sending in E-mails. For instance:
>O=C(O[C@@H]2[C@@H]([C$##$H](C)C)CC[C$##$H](C)C2)[C$##$H]1[C$##$H](C(O)=O)C1
>when cut out and pasted in for instance CS ChemDraw as PasteSpecial-SMILES
>would decode the structure which in this case is the mono-(+)-menthylester of
>(1R,2R)-cyclopropane-1,2-dicarboxylic acid. I guess other chemical
>structure-drawing programs have same feature. Do you people have these
>capacities in your programs? If so this would be a good way of exchanging
>structures.
There is an excellent Java Applet called JME editor that converts a
structure you draw into SMILES. No need to learn any language and it runs
virtually on every platform. See the paper on it:
<http://www.elsevier.com/homepage/saa/eccc3/paper6/>
It was written by Peter Ertl (Novartis).
I can send a .zip archive of this program to anyone who wish. No guarantee
to be virus-free :-)
--------------------------
Frederic Denonne: <http://poujeaux.iecb-polytechnique.u-bordeaux.fr/fred>
IECB - Ecole Polytechnique
ENSCPB - Av. Pey Berland BP108
33402 Talence Cedex
France
+ 33 5 57 96 22 29 (CET) / Fax: ... 22 26
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