VMD-L Mailing List

From: Mgr. Lubos Vrbka (lubos.vrbka_at_uochb.cas.cz)
Date: Fri Jan 20 2006 - 16:05:16 CST

> You can exlude things from an atom selection like this:
> set ow [atomselect top "name OW and not index 5"]
> The "and not" does the job in this case.
this looks really promising... i'll definitely try it out.

i don't know tcl and internal of vmd very well, is something like the
following possible?

set ow [atomselect top "name OW"]
set oneresid [atomselect top "index 5"]
set excluded [$ow and not $oneresid]

or maybe (simpler?)

set ow [atomselect top "name OW"]
set excluded [$ow and not [atomselect top "name OW"]]

or is some other "magic" necessary? i'll definitely need to learn
python... tcl drives me crazy :)

regards,
lubos 

-- 
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Mgr. Lubos Vrbka
Center for Biomolecules and Complex Molecular Systems
Institute of Organic Chemistry and Biochemistry
Academy of Sciences of the Czech Republic
Prague, Czech Republic
http://www.molecular.cz/~vrbka
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