Otis,
[Just to be clear -- those commands you list are being defined in
JavaScript, not Jmol script -- can't do that *exact* command in Jmol script,
right? no " + " .... there without the script() function or using something
like @colors where colors is a user-defined Jmol variable ]
Yes, MEP. The documentation is in error (or was a minute ago, at least). The
range is usually "ALL" as a default, but It's set up as a default for MEP to
be the range -0.05 to +0.05. This ensures that comparisons between molecules
is by default possible and prevents something like hexane from looking like
a strong nucleophile.
But the range is probably too tight for general work, and I recommend
experimenting with different ranges and then settling on one that suits you.
If you find a set that is a better default, we could consider that for Jmol
12, which I think is probably on the horizon.
Bob
On Sun, Jan 24, 2010 at 11:46 AM, Otis Rothenberger <o...@chemagic.com>wrote:
> Hello-
>
> 1) I thought "range all" was default, but there must be another
> default. What is the default range in the above script context?
>
> 2) I think my first line of script above comes close to the Jmol left
> click menu script of "isosurface delete resolution 0 molecular map MEP
> translucent." Indeed, the menu produces the same blue m-nitrophenol (o
> and p as well). What is the current recommendation for a MEP script?
>
> Otis
>
> --
> Otis Rothenberger
> http://chemagic.org
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
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-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
Throughout its 18-year history, RSA Conference consistently attracts the
world's best and brightest in the field, creating opportunities for Conference
attendees to learn about information security's most important issues through
interactions with peers, luminaries and emerging and established companies.
http://p.sf.net/sfu/rsaconf-dev2dev
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