Dear Bob,
I have completed thorough testing of FirstGlance with Jmol
14.3.7_2014.09.20b and no problems were revealed. Thanks for the hours
you spent recently fixing issues I had encountered earlier. Much
appreciated!
Eric
On 9/20/14 5:08 PM, Robert Hanson 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 <ema...@microbio.umass.edu
<mailto: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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