casualty of recent work optimizing efficiencies
http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.7_2014.09.20b.zip
On Sat, Sep 20, 2014 at 2:12 PM, Eric Martz <ema...@microbio.umass.edu>
wrote:
> An expression that I use in FirstGlance to count the number of each kind
> of ligand or non-standard residue is crashing recent versions of JSmol,
> but not Jmol/Java.
>
> An example of the expression:
> {[TRS] and hetero}.groupindex.all.count().length
>
> (I was unable to guess how to make such a count, and Alexander Rose
> suggested this expression which has worked until now.)
>
> DEMONSTRATION OF JSMOL CRASH:
>
> At http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm
> (Jmol 14.3.7_2014.09.07)
>
> Open Jmol Console and enter commands:
>
> load =1ijw
> print {_C}.count
>
> # 516 carbons reported
> # can rotate molecule with mouse
> # everything is OK so far
>
> select hetero
> show groups
>
> # reports CBR, TRS, HOH
>
> print {[TRS] and hetero}.groupindex.all.count().length
>
> # no report
> # cannot rotate molecule with mouse
> # JSmol has frozen
>
> ---------------------
> If the same dialog is run at the above URL with ?_USE=SIGNED, it works
> correctly.
>
> It also works correctly in the Jmol application (9/17).
>
> It also works correctly in JSmol/HTML5 14.0.17_2014.06.11 (in use in the
> publicly released version of FirstGlance), suggesting that the problem
> has arisen since that version.
>
> I first noticed this problem in JSmol 14.3.7_2014.09.17 so it seems that
> recent versions have this problem.
>
>
> -Eric
>
>
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--
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
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