http://sourceforge.net/projects/jmol/files/Jmol-beta/Jmol%2014.3/Jmol%2014.3.16/Jmol-14.3.16_2015.09.15-binary.zip
Jmol.___JmolVersion="14.3.16_2015.09.15"
bug fix: JSmol does not automatically start non-English language
bug fix: JSME's noncanonical SMILES does not match Jmol's standard SMILES
for aromatics
-- solution is to use /noncanonical/ with find().
new feature: SMILES /noncanonical/
-- matches Jmol's aromatic with JSME's "noncanonical" aromatic
$ load $aspirin
$ show smiles
c1=cc=cc2=c1C(O)=O.O2C(C)=O
$ print {*}.find("smiles", "/noncanonical/C1=CC=CC(OC(C)=O)=C1C(O)=O")
({0:20})
$ print "c1=cc=cc2=c1C(O)=O.O2C(C)=O".find("smiles",
"/aromaticImplied/C1=CC=CC(OC(C)=O)=C1C(O)=O")
13
new feature: {*}.find("SMILES", "NOAROMATIC")
-- creates nonaromatic (noncanonical) SMILES
new feature: JmolSQL x.select("...")
-- shortcut for x.getProperty("[select ... ]")
-- x should by an associative array {key:value,..} or a sequential array
[a,b,c,d]
new feature: JmolSQL {associative array}.select("xxx** where...")
-- double * indicates desire to return full sub-arrays, with keys
-- "all keys starting with "xxx";
-- uses LIKE
-- can be at beginning or end or both: xxx**, **xxx, **xxx**
-- WHERE clause is optional
--
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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