From: |
Mark Forster <mforster (- at -) nibsc.ac.uk> |
Date: |
Wed, 14 Oct 1998 09:11:39 +0100 |
Subject: |
Re: CCL:Utility to superimpose pdb files |
Dear David,
One thing is not clear from your question: Do the two PDB files represent the
same protein and
hence have the same number of (say C-alpha) atoms. If this is the case then the
CCL archives
have a program called Quatfit which could surely do this job, although I have not
yet used it for
this purpose.
If they are different proteins rather than different conformations Quatfit could
still be used but
you would need an alignment to establish the atom correspondance.
If you have want to align a given protein structure against those in PDB then try
the DALI
server at
http://www2.ebi.ac.uk/dali/
Hope this helps.
David Chalmers wrote:
> Hi all,
>
> I am after a utility to perform a best fit superimposition of two pdb
> files that I can incorporate in to a shell or perl script. Does anybody
> have such a useful thing?
>
> Thanks
>
> David
>
> _____________________________________________________________________________
>
> David Chalmers Lab: 9903 9623
> Victorian College of Pharmacy Fax: 9903 9582
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]vcp.monash.edu.au
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Dr Mark J Forster Ph.D.
Principal Scientist
Informatics Laboratory
National Institute for Biological Standards and Control
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