wow. that's a HECK of a lot of dots. That actually works?
On Wed, Jun 22, 2011 at 2:05 PM, Greeves, Nick <[email protected]>wrote:
> Many thanks. I couldn't get the precise syntax you suggest to work but from
> Bob's examples (which I must have been subliminally aware of) but
> zap;isosurface phase scale 0.5 atomicOrbital 2 1 0 POINTS 100000
> worked fine.
> Maybe it was the Zeff value that disagreed with my file which is the
> hydride ion.
> All the best
> Nick
> --
> 3D Organic Animations http://www.chemtube3d.com
> Tel: +44 (0)151-794-3506 (3500 secretary)
>
>
>
> On 22 Jun 2011, at 19:31, <[email protected]>
> wrote:
>
> On 6/22/2011 2:23 PM, Greeves, Nick wrote:
>
> I use Jmol to display atomic and molecular orbitals and it works well.
>
> I would like to be able to render simple atomic orbitals 1s, 2s, 2p as
>
> electron density maps made up of dots.
>
> Is this currently possible and if so what sort of input file would
>
> work best?
>
>
> Something like this
>
> http://ursula.chem.yale.edu/~chem125/125/answ/a198/Image69.gif
>
> <http://ursula.chem.yale.edu/%7Echem125/125/answ/a198/Image69.gif> but
>
> better. Taken from
>
> http://ursula.chem.yale.edu/~chem125/125/answ/a198/a198.html
>
> <http://ursula.chem.yale.edu/%7Echem125/125/answ/a198/a198.html>
>
> Best regards
>
> Nick
>
> --
>
>
>
> You can do much better than what is on these pictures! In the newest
> Jmol try for example: isosurface color yellow atomicOrbital 4 2 -2 4.0
> POINTS 5000;
>
> See Bob Hanson pages with the most recent examples for full explanation.
>
> PM
>
>
>
>
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--
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St. Olaf College
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-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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