On 7/2/2012 11:55 AM, Robert Hanson wrote:
add the keyword MOLECULAR and you should have it:
lcaocartoon CREATE "pz" MOLECULAR
/Creates a new LCAO cartoon of the given type using the molecular axes
system as reference. Applicable only for "px", "py", "pz", "-px",
"-py", and "-pz". /
I did not see it :-(
Thanks!
PM
On Sun, Jul 1, 2012 at 10:34 PM, Pshemak Maslak <p...@chem.psu.edu
<mailto:p...@chem.psu.edu>> wrote:
I have encountered a problem with displaying p orbital cartoons
with matching colors on all atoms of SO2 molecule.
select all
lcaoCartoon create "pz"
creates one p orbital with opposite color lobes to the other two.
I can individually add p lobes to all three atoms (and adjust the
"phase"):
select atomno=1
lcaoCartoon create "pz"
select atomno=2
lcaoCartoon create "-pz"
select atomno=3
lcaoCartoon create "pz
but I do not know if the "phase color" problem is a bug (Jmol
12.3.32 6/23/2012), or is there some design reason for this behavior.
Any suggestions?
PM
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
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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