Oh - this is great! Exactly what I wanted - in a straightforward
implementation - nicely done. Thanks Bob!
Dean
On Tue, Mar 2, 2010 at 8:20 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> 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
>>>
>>>
>>> ------------------------------------------------------------------------------
>>> 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
>>> _______________________________________________
>>> Jmol-users mailing list
>>> Jmol-users@lists.sourceforge.net
>>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>>
>>>
>>
>>
>> --
>> 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
> _______________________________________________
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
------------------------------------------------------------------------------
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
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
