Subject: Public Domain MM software

From: [email-masked] (Swamy Kandadai)
Date: Fri, 9 Jun 1995 09:26:42 -0400

You may want to obtain MM2 from QCPE and also ECEPP and ECEPP2 from
QCPE. MM2 is bit old and MM3 is being distributed by Tripos and by
Norm Allinger. Good luck
Swamy Kandadai

***************************************************************
From Dr. K.Ramnarayan

Hello:
Regarding your question to the net regarding 
molecular mechanics calculations using only torsion angles as variables
the solution to closer to home!

Prof. C. Ramakrishnan of Molecular Biophysics Unit,
Indian Institute of Science is well known for such
calculations.  You can contact him to see if you
can collaborate with him.  Good luck.
..K.Ramnarayan, Ph.D.
ImmunoPharmaceutics, Inc.
San Diego, CA, U.S.A.

*********************************************************************
From Dr. D.Severance
   Hi,
      It depends if you want a graphical interface.  Prof. William Jorgensen
has a program named "BOSS" which has been used for a large number of
simulations.  It works in internal coordinate space, so it is trivial to
fix all of the bonds and angles and only allow torsional movements (in fact,
from 1984-1992 only torsional moves were possible, but now bonds and angles
may also be sampled).
      It does not have a graphical interface at this time (although there
is a partial interface built into SYBYL from Tripos).
      You can contact Bill directly for more information:
[email-masked]
      Good luck!
         Dan

-- 
Dr. Daniel L. Severance			[email-masked]
Staff Researcher			Work phone:	(415) 354-7509
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********************************************************************
From Dr. A.D.Allen

Devapriya Choudhury
	It's not Public Domain but SCULPT from International simmulations
provide SCULPT, which uses a REAL time grab and minimise utility, using only
torsion angle parameters.

	email [email-masked] for more details
--
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Structural and Computation Chemistry [email-masked] - JANET.
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Again let me thank all those who replied. This will be a great help
in my research.

Devapriya

Dr. Devapriya Choudhury
Research associate
Bioinformatics Centre
University 0f Poona
Pune, Maharashtra 411 007
INDIA
e-mail [email-masked]