Very nice Bob,
Especially the listing with pictures of all the orbitals and the like to the
Jmol window for 3D.
The trouble comes when we have to explain what they all mean!
All the best
Nick
--
3D Organic Animations http://www.chemtube3d.com
Tel: +44 (0)151-794-3506 (3500 secretary)
On 24 Mar 2011, at 13:43,
<jmol-users-requ...@lists.sourceforge.net<mailto:jmol-users-requ...@lists.sourceforge.net>>
<jmol-users-requ...@lists.sourceforge.net<mailto:jmol-users-requ...@lists.sourceforge.net>>
wrote:
Message: 4
Date: Thu, 24 Mar 2011 08:43:43 -0500
From: Robert Hanson <hans...@stolaf.edu<mailto:hans...@stolaf.edu>>
Subject: [Jmol-users] new web page displays orbitals
To: jmol-users@lists.sourceforge.net<mailto:jmol-users@lists.sourceforge.net>
Message-ID:
<AANLkTi=+rdtjooy-2skpcd7tj4-yixrk0hzdppkcv...@mail.gmail.com<mailto:AANLkTi=+rdtjooy-2skpcd7tj4-yixrk0hzdppkcv...@mail.gmail.com>>
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I have put up a new web page that uses some very recent capabilities of Jmol
12.1.41.
http://chemapps.stolaf.edu/jmol/docs/examples-12/motest/
Specifically, you can:
-- drag/drop any Spartan file or QM output into the applet from your
computer.
-- select and display a molecular orbital from a drop-down list
-- select and display a linear combination of MOs
-- create a vertical list of MO images that can be clicked on to activate in
Jmol or to save
New features utilized:
-- MO [....] linear combination option
-- better control over refreshing and image creation (locks out mouse and
system refreshing)
-- jmolGetPropertyAsString("image","height=... width=...") height/width
option
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