Here's a preview of the presentation I'm making in Anaheim at the ACS
meeting on Monday:
http://stolaf.edu/depts/chemistry/bh/acs2011/acs-03-2011-jmolModelKit.ppt
It's all about modelKit mode and Otis Rothenberger's/Tom Newton's amazing
web site http://chemagic.com/web_molecules
Thank you, Nico, for releasing 12.1.41 and 12.0.38. A few goodies in there:
version=12.1.41
# new feature: for (var x in {...}) {...}
# -- for example:
# for (x in {selected}) { print x }
# new feature: x = {*}.mass.sum (and .max, .min, etc.)
# -- note, like other atom properties, {*}.mass by itself is an AVERAGE of
masses of all atoms
# -- accounts for isotopes, but otherwise just uses average masses. Source:
John Moore/Jon Holmes, J. Chem. Educ.
# new feature: x = plane(<point>, <vector>, true)
both versions:
# bug fix: for(_x...) not disallowed
# bug fix: Spartan .smol files: default for charges is now ESPCHARGES (what
SpartanStudent reports), not MULLIKEN
# -- filter "MULLIKEN" now reads those charges
# bug fix: {*}.resno, .atomno, etc. where the property is an integer returns
sum, not average
# bug fix: closing a prompt dialog with ESCAPE can cause crash; should
return "null"
# bug fix: conflicting (Edit) selectMenu removed
# -- can't have two menus with exactly the same name, or language will only
update one
# bug fix: miscalculating distances for atom exclusion in CifReader
molecular option
# bug fix: image creation does not lock out mouse or system refreshes
# bug fix: select {*} (color=...) fails (specifically math functions
doubling as atom properties)
# bug fix: cross-applet script output from print script("show ...", "B") not
working
# bug fix: synchronize command broken
# bug fix: "string"%-n right-side truncation one character short
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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