On 01/07/2010 04:10 AM, Andy Lu wrote:
> Hi, I am using JMol script within my java application.
> 
> I got the select function to work, but how would I go about for invert
> Selection? It's not working for me.
For this purpose you can use the predefined atom set "selected". This
set contains all currently selected atoms. So the command would be:

  select not selected

Because the "select" command always unselects all atoms that are not
selected by the provided selection expression, the previously selected
atoms are deselected. This way you get the desired inversion.

Similarly, if you want to add atoms to the current selection, you must
include "selected" in your selection expression, e.g.:

  select selected OR protein

For details on atom expressions and selections please look at the
interactive scripting documentation:
http://www.imb-jena.de/ImgLibPDB/Jena3D/doc/jmol_scripting/index.htm#atomexpressions
http://www.imb-jena.de/ImgLibPDB/Jena3D/doc/jmol_scripting/index.htm#select

> Also how do I make the selected residues of "Style" --> "Theme"-->"Trace"
> from the script?
The command is:

  trace on

See the documentation at
http://www.imb-jena.de/ImgLibPDB/Jena3D/doc/jmol_scripting/index.htm#trace
for details.

Regards,
Rolf

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