[AMBER] RE : point mutation - residue swap

From: ABEL Stephane 175950 <Stephane.ABEL.cea.fr>
Date: Mon, 10 Sep 2012 17:34:42 +0000

Hi,

you can use the SCWRL program available at http://dunbrack.fccc.edu/scwrl4/SCWRL4.php to do a single or multiple mutation in your PDB. The program needs only a pdb file a AA sequence of your mutated peptide/protein.

Stephane

________________________________________
De : Jonathan Gough [jonathan.d.gough.gmail.com]
Date d'envoi : lundi 10 septembre 2012 19:24
À : AMBER Mailing List
Objet : [AMBER] point mutation - residue swap

Dear All,

The basic (or complex) question I have is:

How do you take a PDB and change one residue to another residue?
 (essentially a point mutation of an existing structure)

I thought I remembered reading how it could be done, but looking back I
can't seem to find where it might be. I can think of a few ways one could
accomplish this, but I wanted to ask if there is an explanation in the
manual or a tutorial that I am just missing. (Can someone point me in the
right direction)

1. I searched the archives and saw some old posts regarding using other
programs.
2. One could manually add/change things
3+????

Not necessarily looking for a step by step but a push in the right
direction.

Thanks,
JOnathan
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Received on Mon Sep 10 2012 - 11:00:04 PDT
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