On 3/11/2013 12:58 PM, Robert Hanson wrote:
Good catch, Michael. Yes, it's specifically a problem with "-sp3d" --
easily fixed.
See http://chemapps.stolaf.edu/jmol/Jmol-13.zip and
http://chemapps.stolaf.edu/jmol/jsmol.zip
Bob
I have lcaocartoon-related questions. For CO2 (for example) the sp2 lone
pair lobes are shown as the sp lobes instead. Similar outcome is
observed for other linear molecules. Is that a general limitation?
I know that the cartoons lobes can be drawn and oriented (per demand)
using "isosurface" command, but the lonepair dots are much harder if one
wants them to keep up with molecular rotations and not eclipse each
other at some orientations.
Is there a simple way to deal with these issues?
Thanks,
PM
On Sun, Mar 10, 2013 at 2:19 PM, Michael Evans <evan...@illinois.edu
<mailto:evan...@illinois.edu>> wrote:
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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Wave(TM): Endpoint Security, Q1 2013 and "remains a good choice" in the
endpoint security space. For insight on selecting the right partner to
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