An enhanced version of SMMP—open-source software package for simulation of proteins
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Abstract
We describe a revised and updated version of the program package SMMP (Simple Molecular Mechanics for Proteins) [F. Eisenmenger, U.H.E. Hansmann, Sh. Hayryan, C.-K. Hu, Comput. Phys. Comm. 138 (2001) 192-212]. SMMP is an open-source FORTRAN package for molecular simulation of proteins within the standard geometry model. It is designed as a simple and inexpensive tool for researchers and students to become familiar with protein simulation techniques. This announcement describes the first major...
Title of program: SMMP
Catalogue Id: ADOJ_v2_0
Nature of problem
Molecular mechanics computations and Monte Carlo simulation of proteins.
Versions of this program held in the CPC repository in Mendeley Data
ADOJ_v1_0; SMMP; 10.1016/S0010-4655(01)00197-7
ADOJ_v2_0; SMMP; 10.1016/j.cpc.2005.10.013
ADOJ_v3_0; SMMP; 10.1016/j.cpc.2007.11.004
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2020-01-03
