Re: [Jmol-users] lcaocartoon displays

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

actually, there's still a problem that I will look into -- if you create 
a set of orbitals with the same name, only one is created. That just 
means that if you use:
 
  select (carbon and connected(nitrogen));lcaocartoon create "pz"

you will get, perhaps, five pz cartoons. They will have names like 
lcao_3_pz, lcao_4_pz, etc. -- but that number does NOT correspond to the 
atom number, the way it used to.

But if you provide an ID:

  select (carbon and connected(nitrogen));lcaocartoon create lcao1 "pz"

then you only get ONE cartoon, and you can refer to $lcao1pza and 
$lcao1pzb.

So I'm not sure what the general solution is to this problem. You can't 
easily know what lcaocartoon is on what carbon unless you create them 
one at a time.

But you can do this:

  select (carbon and connected(nitrogen))[1];lcaocartoon create lcao1 "pz"
  select (carbon and connected(nitrogen))[2];lcaocartoon create lcao2 "pz"
  select (carbon and connected(nitrogen))[3];lcaocartoon create lcao3 "pz"

since this selects just one atom at a time. I suspect this doesn't 
really hinder you -- you probably create one lcaocartoon at a time. If 
that's the case, just give the lcaocartoon an id and then refer to it.

Also, you can set the colors and translucency before you create the 
cartoons using

  lcaocartoon color white blue translucent 0.3

and then create the cartoons you want.


Bob
William Reusch wrote:

>Bob,
>
>I'm trying to script changes in orbital translucency and find that the 
>$lcao method of targeting an existing display is not working.
>The specific examples on your 
>(chemapps.stolaf.edu/jmol/docs/examples-11/lcao.htm) page generate error 
>messages and do not function.
>If several orbitals are displayed in the same model, can they have 
>different translucency?
>Thanks for your valuable help.
>
>Bill
>
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-- 
Robert M. Hanson
Professor of Chemistry
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