Re: [Jmol-users] Jmol | lcaocartoon

[Robert H. <ha...@st...>]

just switch LONEPAIR for LOBE.


On Fri, Mar 15, 2013 at 4:09 PM, Pshemak Maslak <pm...@ch...> wrote:

> On 3/15/2013 4:38 PM, Robert Hanson wrote:
> >  lcaocartoon ID "lp1" center {_O}[1] lobe {0 -0.866 -0.5  0.7}
> >
> > looks to me to be a decent sp2 orbital for which the associated p
> > orbital is along x.
> >
> > The first three numbers are the axis direction; the last one is the
> > ratio of width to length.
> >
> > Will that do, Pshemak?
> >
> > Bob
> >
>
> Thanks Bob!  It works great.
>
> I did essentially the same with the isosurface (lobe) command.
>
> Can this be extended to "LONEPAIR" to get two electron dots that do not
> eclipse each other in some positions upon model rotations (i.e.
> reproduce the dots from lcaoCartoon LONEPAIR)?
>
> 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