My recent experience with lcaoCartoon is that the symmetry of the molecule you
are working on dictates which cartoon orbitals can be created. No doubt Bob can
comment on this.
To make sure nothing is wrong with my command I use "s" which always displays
on every atom. Having done that I then try the various commands to try and
generate the desired cartoon lcao. If the symmetry is wrong you get nothing
displayed (and no feedback in Jmol Console).
My current problem is SF4. I can't get the lone pair to display properly. ClF3
is OK though with two lone pairs so the principle is fine.
All the best
Nick
--
3D Organic Animations http://www.chemtube3d.com
Tel: +44 (0)151-794-3506 (3500 secretary)
On 11 Mar 2013, at 03:05,
[email protected]<mailto:[email protected]>
wrote:
Message: 2
Date: Sun, 10 Mar 2013 14:19:45 -0500
From: Michael Evans <[email protected]<mailto:[email protected]>>
Subject: [Jmol-users] Jmol | lcaocartoon -sp3d Issue
To: "[email protected]<mailto:[email protected]>"
<[email protected]<mailto:[email protected]>>
Message-ID:
<CAPVVrdZKDwWt3qRL1jr9Jd=zyzcp_k+5shmenxnjsssz2ca...@mail.gmail.com<mailto:CAPVVrdZKDwWt3qRL1jr9Jd=zyzcp_k+5shmenxnjsssz2ca...@mail.gmail.com>>
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Jmol'ers,
I am having trouble using lcaocartoon in a very specific case. If you look
on this page, the antibonding orbitals render fine:
http://butane.chem.illinois.edu/jsmoore/Experimental/DFE.html
However, on this updated version of the same page using either JSmol or
Jmol 13.0.12, the last antibonding orbitals (C3-H6 and C2-H8) fail to
render properly.
http://www.metallacycle.com/lec/chem332/jmolpages/difluoroethane/?use=java
Those last antibonding orbitals use the "-sp3d" lobe, which appears not to
render properly no matter what I try. I even tried back here with no
success:
http://chemapps.stolaf.edu/jmol/docs/examples-12/new.htm
An sp3d lobe renders fine, but nothing happens when I try lcaocartoon
create "-sp3d". Am I missing something?
Cheers, Mike
---
Michael Evans
Department of Chemistry
University of Illinois, Urbana-Champaign
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