VMD-L Mailing List

From: Robert Wohlhueter (bobwohlhueter_at_earthlink.net)
Date: Wed Jul 14 2010 - 09:22:09 CDT

I would like to be able to refer to (complicated) atomselect variables
in the "representation" gui of VMD, but can't figure out a syntax for
doing so. The following commands from within the tcl window would seem
to do it: set sel [atomselect .....]; mol selection $sel; mol addrep
1. This has the effect of writing to the "selection" column in the
"representation" gui "resid eq $sel" -- which would seem intuitively
useful (and that syntax is accepted by the gui). BUT the desired
selection is not made (there's no change in the display window at all),
nor can I find that "resid eq .." syntax documented anywhere.

Generally my purpose is simply to write a bunch of complex selections to
a tcl command file, source it, then use the resultant variables in the
gui. Any hints how to do this?

[I'm running VMD 1.8.7 on 64-bit linux]

Thanks,

Bob Wohlhueter