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From: callahan@cs.jhu.edu (Paul Callahan)
Newsgroups: sci.bio,sci.chem
Subject: Information on obtaining ECEPP
Message-ID: <callahan.674157095@newton.cs.jhu.edu>
Date: 13 May 91 17:36:43 GMT
Lines: 21

Can anyone out there tell me where to obtain ECEPP (Empirical Conformation
Energy Program for Peptides)?  I've been looking into some of the computational
problems associated with protein energy minimization techniques (to determine
folding), and I would like to have an energy evaluation program to 
experiment with.  This program is based on the work of Momany, McGuire,
Burgess, and Scheraga (J. Phys Chem, v.79, no.22 1975, p. 2361) and has been 
updated at least once since then.

I have a copy of the original article, and I could possibly duplicate
the code if I chased down enough tables of parameters, but I would prefer
something that is in standard use.  If the code is available in C, so
much the better, but Fortran is acceptable.

I'm interested in other programs to estimate conformation energy as well,
but this is the only one I've seen referenced by name.  Please respond by 
e-mail unless you feel your response is of general interest.

Thanks,

Paul Callahan
callahan@cs.jhu.edu