Re: [Jmol-users] lcaoCartoons

[Pshemak M. <pm...@ch...>]

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 <pm...@ch... 
> <mailto:pm...@ch...>> 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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