Jmol.___JmolVersion="14.18.1" // 2017.06.06
*Jmol-14.18.1-binary.zip (69.8 MB)
<https://sourceforge.net/projects/jmol/files/latest/download?source=files>*
new feature: WRITE SDF writes > <.... user data
-- can be set using MODEL PROPERTY "molData" x where x is an
associative array
-- can be read using _M.molData
new feature: associativeArray.pop() -- clears associativeArray
new feature: assArray1.push(assArray2) -- adds all key/value entries in
assArray2 to assArray1.
new feature: assArray1 + assArray2 -- adds all key/value entries into a
new associative array. (Complements a1 - a2)
bug fix: CIP misses Rule 4b cases where a branching atom has R or S
chirality.
-- see test_bt_P4.mol and test_bt_O3.mol (BH64.65 and BH64.66)
-- see AY236.179 (3D structure was diasteriomer, so I missed that)
bug fix: WRITE MOL should not generate > <JMOL_PARTIAL_CHARGES> because it
is not SDF format
bug fix: WRITE SDF should generate > <JMOL_PARTIAL_CHARGES> with a trailing
space
bug fix: (SMILES) targetString.find("SMILES",patternString) will fail for
.[C@H]2 (new group and attached to a connection number)
bug fix: SHOW CHEMICAL SMILES fails when logLevel is set > 4
--
Robert M. Hanson
Professor 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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