Revision: 21585
http://sourceforge.net/p/jmol/code/21585
Author: hansonr
Date: 2017-05-07 00:37:48 +0000 (Sun, 07 May 2017)
Log Message:
-----------
Jmol.___JmolVersion="14.15.3"
bug fix: use of the less preferred name of Jmol token that has two optional
forms ("fix" vs "fixed") as a VAR does not assign that variable name
bug fix: set cartoonRibose misses the C1'-O4' and O3'-P(+1) edges
bug fix: JVXL reader not reading Gaussian files with "1" in the third line, 5th
field
bug fix: CIP chirality
test: load "$2,2'-dibromobiphenyl"; calculate chirality; print
{*}.chirality.join("")
bug fix: CIP chirality nearly fully validated on ACD/Labs AY-236 set, with some
unimplemented aspects:
var skip = ({27 229}) || // E/Z only; missing chirality
({95 96 98 99 100 101 102 103 104 108 109 110 111 112 200}) || //
trigonal planar, square planar, or hypervalent
({32 33}) || // helicene
({201 202})|| // spirocyclic central (redundant) atom designation
missing (axial designation option)
({212 213})|| // chiral conformation 1,4-benzene in a ring
({38 84}) || // ignore -- 38: Mancude for cyclopentadienyl; 84:
unknown error with P compound
({203}) || // // chiral bridgehead amine
Issue: Full implementation of the rules requires a slight modification of Rule
1b.
Specifically, aromatic duplicate atoms must reference the sphere of their own
parent, not their
duplicated atom.
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2017-05-07 00:35:31 UTC
(rev 21584)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2017-05-07 00:37:48 UTC
(rev 21585)
@@ -72,6 +72,12 @@
({212 213})|| // chiral conformation 1,4-benzene in a ring
({38 84}) || // ignore -- 38: Mancude for cyclopentadienyl; 84:
unknown error with P compound
({203}) || // // chiral bridgehead amine
+
+Issue: Full implementation of the rules requires a slight modification of Rule
1b.
+Specifically, aromatic duplicate atoms must reference the sphere of their own
parent, not their
+duplicated atom.
+
+
Three structures appear to be in error in the IUPAC Blue Book 2013.
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