VMD-L Mailing List

From: Philippe Bopp / temporary (philippebopp_at_yahoo.com)
Date: Wed Nov 28 2012 - 09:02:28 CST

 Hi everybody

Quastion: what is 'selmod' ?

This term appears in the entire VMD documentations
(according to Google and
http://www.ks.uiuc.edu/Research/vmd/'s own search)
exactly 2 (two) times on:

http://www.ks.uiuc.edu/Research/vmd/plugins/topotools/

in the string

writevarxyz <file name> [selmod <sel>] [first|last|step <frame]

VERY INFORMATIVE!

So what is it?

I tried

topo writevarxyz "test.xyz" [selmod all]
topo writevarxyz "test.xyz" [selmod "all"]
topo writevarxyz "test.xyz" [all]
topo writevarxyz "test.xyz" ["all"]

which just generated a choice of obscure error meessages

and finally
topo writevarxyz "test.xyz" [top]
which crashed VMD (reproducibly)

Everything else even vaguely plausible

topo writevarxyz 'test.xyz' [atomselect top "name H"]
topo writevarxyz 'test.xyz' [current]
topo writevarxyz 'test.xyz' [selmod $atomselect0]
.......
fails.

Looking into the file topovarxyz.tcl (which is exactly what one
would want to avoid) didn't shed any light on 'selmod'
either.

cheers

Philippe

-----------------
Philippe A. Bopp

philippebopp AT yahoo.com       (private)
Philippe.Bopp AT u-bordeaux1.fr (office)
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