Otis, thanks so much for testing this. It has to do with that needed
reversal of connection numbers and branches. There was still a bug in the
switching code. In the process of fixing that, I discovered a line I
dropped from the code that broke Jmol's ability to check stereochemistry in
one SMILES string against another. So, as we say in Minnesota: Ya sure, a
two-fer. Uff da!
* Download Jmol-14.4.4_2016.03.29-binary.zip (61.3 MB)
<https://sourceforge.net/projects/jmol/files/latest/download?source=files>*
Jmol.___JmolVersion="14.4.4_2016.03.29"
code: ru.po updated (Angel Herraez)
bug fix: SMILES generator still broken in 14.4.4_2016.03.25
bug fix: smiles1.find("SMILES",smiles2) broken in 14.4.3_2016.03.06
new feature: Polyhedra command allows for min and max radius
-- polyhedra 2.8 3.0 @3
bug fix: unitcell PRIMITIVE for rhombohedral groups not implemented
bug fix: unitcell("primitive","R") not implemented
bug fix: WRITE IMAGE with negative width or height should throw a Jmol
ScriptException
bug fix: draw ... [x y] does not position properly with antialias true
bug fix: allow AXES TYPE "" or non-recognized to be same as "abc"
bug fix: AXES TYPE "ab" should also be allowed when offset or center is set
bug fix: labels should not change size when creating images of
different size than screen when angstromsPerInch != 0.
bug fix: if...BREAK|CONTINUE in unbracketed context does not properly
place implicit END IF when TRUE clause is on next line
AND next statement after that is another IF command:
if (xxxx)
break;
if (yyyy)
zzzz;
becomes
if (xxxx) {
break;
if (yyyy) {
zzzz;
}
}
instead of
if (xxxx) {
break;
}
if (yyyy) {
zzzz;
}
On Tue, Mar 29, 2016 at 9:01 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> shoot! Thanks for testing, Otis...
>
>
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department 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
------------------------------------------------------------------------------
Transform Data into Opportunity.
Accelerate data analysis in your applications with
Intel Data Analytics Acceleration Library.
Click to learn more.
http://pubads.g.doubleclick.net/gampad/clk?id=278785471&iu=/4140
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
