Bob and Bruce:
Bruce: Happy to see writing jvxl files working for you. No luck here with
14.15.1 using Gaussian cube files. Any thoughts. Fred
> On Apr 28, 2017, at 2:46 PM, Bruce Tattershall
> <bruce.tattersh...@newcastle.ac.uk> wrote:
>
> 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/
> <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 <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 <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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