Sorry Bob, but this version fails to do any chirality labelling for me, for
either of my two models which you
looked at yesterday.
The following is copied from the Jmol Script Console:
label %[chirality]
script ERROR: java.lang.AbstractMethodError:
org.jmol.modelset.Atom.getEdges()[Lorg/jmol/util/SimpleEdge;
org.jmol.shape.Labels set label
Bruce
From: Robert Hanson [mailto:hans...@stolaf.edu]
Sent: 07 June 2017 14:15
To: jmol-users@lists.sourceforge.net
Subject: [Jmol-users] Jmol 14.18.1
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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