Re: [Jmol-users] Jmol and NCIPLOT

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

This is better: http://www.youtube.com/watch?v=AilBZeeeETk

On Wed, Jun 8, 2011 at 8:41 AM, Robert Hanson <ha...@st...> wrote:

> noncovalent interactions are not viewable in Jmol -- or at least will be,
> once the next version is released. Currently only in
> http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip
>
> But here's a teaser: http://www.youtube.com/watch?v=ZM_KFjHRGXQ
>
> Created with this script using Jmol 12.1.49_dev:
>
>
> load gb-nci.xyz
> reset;center {-2.9921532E-5 0.025004983 4.9471855E-6}; rotate z -46.43;
> rotate y 84.95; rotate z 62.91;
>
> rotate branch {c5} {C8} 20
> for (var i = 0; i < 15; i++) {
>   rotate branch {c5} {C8} -10
>   isosurface NCI
>   refresh
>   write @{"c:/temp/nci-test-rotate-" + i + ".png"}
>   write @{"c:/temp/nci-test-rotate-" + i + ".jvxl"}
> }
>
>
> Then put together with Windows MovieMaker for the YouTube video, or you can
> also just replay it in Jmol using:
>
> load gb-nci.xyz
> reset;center {-2.9921532E-5 0.025004983 4.9471855E-6}; rotate z -46.43;
> rotate y 84.95; rotate z 62.91;
>
> rotate branch {c5} {C8} 20
> for (var i = 0; i < 15; i++) {
>   rotate branch {c5} {C8} -10
>   isosurface @{"c:/temp/nci-test-rotate-" + i + ".jvxl"}
>   refresh
> }
>
>
> --
> 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