Jmol 12.0.RC16 adds full support for SMARTS "bond logic":
select smarts("A-,=;@A")
"select all bonded non-aromatic atoms (AA)
that are connected by single or double bonds (-,=)
in rings(;@)"
I believe I have a well-articulated schema for Jmol 3D-SMARTS. This can be
found at
http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol/src/org/jmol/smiles/package.html#specs
Is this the one and only such specification?
Bob
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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