Re: [Jmol-users] for loop

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

each of these isosurfaces is going to need its own ID. I would recommend
using DRAW rather than ISOSURFACE here.

 for (var i IN {_P}) { isosurface ID @{"i"+i.atomIndex} center @i sphere
2.5}

better:

 for (var i IN {_P}) { draw ID @{"d"+i.atomIndex} width 5.0 @i}

unless those need to be meshes.

another option is geosurface:

select _P
geosurface 2.5




On Wed, Jan 29, 2014 at 2:41 PM, Spinney, Richard <
rsp...@ch...> wrote:

>  I am trying to draw a sphere around a subset of atoms in a structure and
> have tried the following command;
>
> for (var i IN [_P]) { isosurface myiso sphere 2.5} (also tried for (var i
> IN {_P}) { isosurface myiso sphere 2.5} and select *.P; for (var i IN
> {selected}) { isosurface myiso sphere 2.5}))
>
> which draws a single sphere at a point other than the selected atom type
> rather than drawing a sphere around all P. Is this a bug or am I missing
> something?
>
>
>
> Thanks, Rick
>
> --------------------------------------
>
> Dr. Richard Spinney
>
> Department of Chemistry and Biochemistry
>
> The Ohio State University
>
> 120A Celeste Laboratory
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> email: rsp...@ch...
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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