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.

---
avast! Antivirus: Outbound message clean.
Virus Database (VPS): 0631-3, 08/04/2006
Tested on: 8/5/2006 11:04:56 AM
avast! - copyright (c) 2000-2006 ALWIL Software.
http://www.avast.com
_________________________________________________________________
Don’t just search. Find. Check out the new MSN Search! 
http://search.msn.click-url.com/go/onm00200636ave/direct/01/