That problem relates to using .sort() and .count() and perhaps a few more
math functions. Possibly also GIF file creation.
On Sat, Sep 20, 2014 at 4:08 PM, Robert Hanson <[email protected]> wrote:
> 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 <[email protected]>
> 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
>
>
--
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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