Dean, I just checked in code that does this better.
Bob
On Mon, Mar 1, 2010 at 10:38 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> Well, that wasn't so bad.
>
> isosurface na1 cap unitcell center {atomno=1} sphere 2.0
>
> does what you see there for one of the atoms
>
> isosurface na1 slab unitcell center {atomno=1} sphere 2.0
>
> does that, but doesn't close the ends. Kind of cool that this addition only
> about 20 lines of code. Fun!
>
> So the solution is to create a sphere isosurface for each.
>
> Kind of neat that the unitcell doesn't have to be orthogonal.
>
> Also works with boundbox.
>
> Bob
>
> On Fri, Feb 26, 2010 at 10:48 PM, Dean Johnston <djohnsto...@gmail.com>wrote:
>
>> Jmol Users,
>>
>> Here's something I've always wanted to do with Jmol -- use clipping
>> planes to show students the *fractions* of atoms in a unit cell (similar
>> to attached image of NaCl generated using POV-Ray). I know I can use slab
>> HKL and depth HKL, but those don't "slice" through the atoms like the normal
>> slab and depth commands. I think there was a thread a while back on
>> something like this, but I couldn't track it down. I've also thought about
>> generating isosurfaces to represent the fractions of atoms, but that seemed
>> tedious.
>>
>> Dean
>>
>>
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>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> 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
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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
------------------------------------------------------------------------------
Download Intel® Parallel Studio Eval
Try the new software tools for yourself. Speed compiling, find bugs
proactively, and fine-tune applications for parallel performance.
See why Intel Parallel Studio got high marks during beta.
http://p.sf.net/sfu/intel-sw-dev
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