On 3/11/2013 2:18 PM, Robert Hanson wrote:
Since when are they sp2 ? ;)
Since freshman chemistry covered hybridization?
I am guessing that there is no simple fix...
PM
On Mon, Mar 11, 2013 at 12:40 PM, Pshemak Maslak <p...@chem.psu.edu
<mailto:p...@chem.psu.edu>> wrote:
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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Chair, Chemistry Department
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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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Wave(TM): Endpoint Security, Q1 2013 and "remains a good choice" in the
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tackle endpoint security challenges, access the full report.
http://p.sf.net/sfu/symantec-dev2dev
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