Oh, also, I think I'm finally up to date at
http://chemapps.stolaf.edu/jmol/docs/examples-12/new.htm
On Fri, Mar 25, 2011 at 2:42 PM, Robert Hanson <[email protected]> wrote:
> 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
>
--
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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