From owner-chemistry@ccl.net Wed Dec 21 08:44:01 2011
From: "Iain Moal Iain.Moal:+:cancer.org.uk" <owner-chemistry],[server.ccl.net>
To: CCL
Subject: CCL: superposition of pdb files from discontiguous selection
Message-Id: <-46068-111221033043-32663-lS/MqfskGzDDDzuUgUWZjw],[server.ccl.net>
X-Original-From: Iain Moal <Iain.Moal(~)cancer.org.uk>
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Date: Wed, 21 Dec 2011 08:29:13 +0000
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Sent to CCL by: Iain Moal [Iain.Moal+/-cancer.org.uk]
ProFit should be able to do that for you: http://www.bioinf.org.uk/software/profit/index.html

Iain
________________________________________
> From: owner-chemistry+iain.moal==cancer.org.uk##ccl.net [owner-chemistry+iain.moal==cancer.org.uk##ccl.net] On Behalf Of Arnout RD Voet arnout.voet~~riken.jp [owner-chemistry##ccl.net]
Sent: 21 December 2011 00:35
To: Iain Moal
Subject: CCL: superposition of pdb files from discontiguous selection

Sent to CCL by: "Arnout RD Voet" [arnout.voet(~)riken.jp]
Dear all,

I am trying to find a program that allows me the superposition of pdb files according to a discontiguous selection:
I would like to superpose like this:
residues x1 x2 x3 ... onto residues a1 a2 a3 ... respectively
and      y1 y2 y3 ... onto residues b1 b2 b3 ... respectively
and      z1 z2 z3 ... onto residues c1 c2 c3 ... respectively
and      ....
in which x y z are part of the first pdb file and a b c of the second
the amino acid sequences also are not conserved within these files

Can somebody please direct me to a tool that allows this?

kindest regards
Arnout Voet
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