yes, a bug. Found it. Thanks.
On Sat, Apr 19, 2014 at 5:03 AM, Angel Herráez <[email protected]> wrote:
> Hello
>
> I am trying to use some custom atomic radii, but things do not seem to work
> as advertised ;-) with "set defaultVDW user"
>
> load $caffeine;
> spacefill 23%;
> data "element_vdw" 6 0.9; 7 0.7 end "element_vdw"; //redefines C and N
> set defaultVDW user; // reports defaultVDW = "User"
> spacefill 23%; //bad, applies standard Jmol radii
> spacefill 23%user; //good, as expected applies user radii
>
>
>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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
------------------------------------------------------------------------------
Learn Graph Databases - Download FREE O'Reilly Book
"Graph Databases" is the definitive new guide to graph databases and their
applications. Written by three acclaimed leaders in the field,
this first edition is now available. Download your free book today!
http://p.sf.net/sfu/NeoTech
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