Re: [Jmol-users] Jmol prerelease 10.00.42

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

Are the files mentioned below on the site? I'd like to try this out.


Miguel wrote:

> Jmol prerelease 10.00.42 is now available from
> 
>   http://www.jmol.org/files
> 
> This release features support for coloring .cub file isosurfaces based
> upon color mapping from another .cub file.
> 
> Surface are colored using a red->orange->yellow->green->blue rainbow,
> where red represents minimum values and blue represents maximum values.
> 
> If absolute data values are not provided then Jmol will calculate the
> range based upon the actual data values calculated for the surface points.
> 
> 
> You need to supply your own cube files, presumably from gaussian or equiv.
> 
> Example:
> 
> load "ch3cl-density.cub"; # read in the molecule - old functionality
> isosurface mySurface 0.0004 "ch3cl-density.cub"; # old functionality
> isosurface mySurface color "ch3cl-esp.cub"; # new functionality
> color isosurface translucent;
> 
> OR, put it all on one line:
> 
> isosurface mySurface 0.0004 "ch3cl-density.cub" color "ch3cl-esp.cub";
> 
> OR, specify your own absolute range for color data values:
> 
> isosurface color absolute -0.1 0.5 "ch3cl-esp.cub";
> 
> 
> Note that the subcommand names 'color' and 'absolute' are subject to change.
> 
> 
> Thanks to Richard Spinney of Ohio State University (USA) for help on this.
> 
> 
> It looks pretty cool ... Enjoy!
> 
> Miguel
> 
> 
> 
> 
> 
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-- 
--

Robert M. Hanson, ha...@st..., 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:ha...@st...
http://www.stolaf.edu/people/hansonr

"Imagination is more important than knowledge." - Albert Einstein