SMMP v. 3.0—Simulating proteins and protein interactions in Python and Fortran
收藏Mendeley Data2023-02-23 更新2024-06-26 收录
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Abstract
We describe a revised and updated version of the program package SMMP. 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. SMMP 3.0 sports a revised API increasing its flexibility, an implementation of the Lund force field, multi-molecule simulations, a parallel implementation of the energy function, Pyt...
Title of program: SMMP
Catalogue Id: ADOJ_v3_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：
2020-01-06
