Re: [Jmol-users] constructing atom expression with variables

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

On Fri, Dec 20, 2013 at 6:55 PM, Whitwell, George <GWh...@nc...>wrote:

>  Hello again,
>
>
>
> The following script:
>
>
>
> modcnt = getproperty("modelinfo.modelcount")           // modcnt=6
>
> gmsmodel = "{1.".add(@modcnt).add("}")
>
> //gmsmodel = {1.6}
>

So that could be just "{1."  + modcnt + "}"


> print gmsmodel
>
> print (@gmsmodel).label("%-3[element]%4.0[elemno]%13.6[xyz]")
>
>


Clearly, in the commented line, gmsmodel is recognized as an atom
> expression, while the first is merely a string that looks like one.  How
> can I construct an atom expression for the last model in any file?
> Probably something simple; still, I've tried a lot of variations.
>
>
modcnt = getproperty("modelinfo.modelcount")
print @{model=modelcnt}.label......

 or

modcnt = {*}[0].modelIndex + 1
print @{model=modelcnt}.label......

Because {*}[0] is "the last atom"  and {*}[0].modelIndex is the last atom's
model index, which must be one less than the model count.





>
> Thanks,
>
> George
>
>
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-- 
Robert M. Hanson
Larson-Anderson 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