mapping sequence data onto know 2ndary structures
- From: Paul Beroza <beroza "-at-" scripps.edu>
- Subject: mapping sequence data onto know 2ndary structures
- Date: Wed, 21 May 1997 09:37:10 -0700 (PDT)
A couple of weeks ago Dan Severance wrote:
> I want to be able to quickly generate a given secondary structure
> from a sequence, and I'd like to do it nongraphically so I can generate
> a large number with little or no "human" intervention :-)
> I'm not talking reality, per se, just a sequence and an identifier
> of some sort specifying that I want a generic beta sheet, gamma turn,
> etc.
> I know how to do it graphically in various software packages, but
> I want to be able to generate these from an automated script.
I wrote a program, "peptide", to do this. It is in the NAB language
(which was designed for nucleic acids, but can also be used for proteins)
The command line syntax is:
% peptide structure sequence < -lib libfile>
where "structure" defines the type of structure to be created and
"sequence" is a string o of 1 letter amino acid codes. For example:
% peptide ALPHA AAAAA -lib conf.lib
will write out (in pdb format) the coordinates of an alanine pentapeptide
in an alpha helical structure.
You must have the "nab" compiler:
info on nab = http://www.scripps.edu/case.
nab source = ftp://ftp.scripps.edu/pub/macke/nab-2.1.tar.Z
Once you have the nab compiler installed, get the peptide package from
ftp://ftp.scripps.edu/pub/beroza/peptide
I hope this is useful, and any comments and suggestions about the
program are welcome.
Paul
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Paul Beroza
The Scripps Research Institute email: beroza "-at-" scripps.edu
Department of Molecular Biology phone: 619-784-9957
10550 N. Torrey Pines Rd. - TPC15 fax: 619-784-8896
La Jolla, CA 92037 URL: www.scripps.edu/~beroza
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