VMD-L Mailing List

From: Shatadal Ghosh (shatadal_ghosh_at_hotmail.com)
Date: Sat Aug 05 2006 - 11:04:57 CDT

Hi,

My problem is that I want to choose a subset of atoms based on a
particular criterion. The criterion is whether the atom contains a
particular value in a column in the pdb file. This column is appended to
the pdb file at columns beyond the pdb specification so the pdb file can
be visualised in vmd.

Can I refer to the column number in a Tcl/Tk script? I am a Tcl/Tk
newbie and I looked through the Tcl/Tk help but was unable to find a way
to do it.

Basically how do I write the following (which is awk-like) in the Tk
console?

if ($<col number> == <some value>) >> atom_selection_1

I went through the selection choices in the selections tab of the
Graphical Representations window and there are some volindex, vol and
interpvol keywords. Can these be used?

Thanks. 

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