Bob
The version you published yesterday works fine for finding chirality in my
organo PS cage compounds
(e.g. with 67 atoms), both in JSmol and in Jmol_S.
The problem with writing mo jvxl files is also fixed for me.
Contour plots on a plane .pmesh files do come back with the same colour scheme
they had before saving,
but if one changes this to colour scheme bw, I have not found any way to switch
back to the saved colours,
other than reloading the file. The original isosurface plane was coloured with
colour scheme bwr, but if
I reapply this, the contours come out all white. Any ideas?
Thanks
Bruce
From: Robert Hanson [mailto:hans...@stolaf.edu]
Sent: 28 April 2017 19:11
To: jmol-users@lists.sourceforge.net
Subject: Re: [Jmol-users] Jmol 14.15.1
OK, that version is broken for CIP chirality determination in JavaScript. Ran
into an odd Java->JavaScript problem that requires recompilation. Simple
structures will work, but more advanced issues will cause atoms to not display
a chirality designation with label %[chirality]. JavaScript only; Java is fine.
Bob
On Thu, Apr 27, 2017 at 8:41 PM, Robert Hanson
<hans...@stolaf.edu<mailto:hans...@stolaf.edu>> wrote:
Jmol.___JmolVersion="14.15.1" // 4/28/17
bug fix: values not saved in state for cartoonBlockHeight, cartoonBlocks, and
cartoonSteps
bug fix: write MO broken
bug fix: set cartoonBlockHeight (for DSSR nucleic acid rendering) fails
new feature: x.split(true)
-- does a white-space token split of the string value of x
new feature: MOL/SDF reader reads M ISO lines for isotopes
new feature: CIP chirality adds P, S, As, Se, Sb, Te, Bi, Po trigonal pyramidal
and tetrahedral
new feature: CIP chirality adds imine and diazine E/Z chirality
bug fix: CIP chirality broken for carbonyl groups
bug fix: CIP chirality E/Z should not be indicated for rings of size < 8
code: CIPChirality.java 779 lines Rules 1-5 validated on 145 compounds
- see https://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol-datafiles/cip/
code: CIP optimizations
--
Robert M. Hanson
Larson-Anderson 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
--
Robert M. Hanson
Larson-Anderson 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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