All,
Markus Sitzman has installed the Beta 4 version of the Chemical Identifier
Resolver. He will be blogging about new features in the near future, but
one feature he has discussed involves integration of Resolver with the
OPSIN database. OPSIN is new to me, but here's some general information:
http://opsin.ch.cam.ac.uk/information.html
The bottom line in all of this is that without any changes in the current
Resolver query approach, Resolver now has the ability to use the OPSIN
database for IUPAC name resolution. The main utility of this to Jmol is the
ability to load a model based on some obscure IUPAC name in a journal
article:
http://cactus.nci.nih.gov/chemical/structure/spiro[1,2-benzodithiole-3,2'-[1
,3]benzodithiole]/sdf
The query can handle non standard characters - Greek, etc.
See Markus' blog for more specific information:
http://cactus.nci.nih.gov/blog/
Needless to say, I'll be keeping my eye on the blog for additional
updates.
Otis
--
Otis Rothenberger
Department of Chemistry
Illinois State University
Normal, IL 61790-4160
http://chemagic.org
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