MMTK

Posted on February 23, 2001 by Dan Gezelter

The Molecular Modelling Toolkit (MMTK) is a Python-based Open Source program library for molecular simulation applications.
Find MMTK at: http://dirac.cnrs-orleans.fr/MMTK/

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AMMP Home Page

Posted on February 23, 2001 by Dan Gezelter

AMMP is a modern full-featured molecular mechanics, dynamics and modeling program.
Find AMMP Home Page at: http://www.cs.gsu.edu/~cscrwh/ammp/ammp.html

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Ghemical

Posted on February 23, 2001 by Dan Gezelter

Ghemical is a computational chemistry software package released under the GNU GPL. Ghemical can do all-atoms molecular mechanics (there is an experimental Tripos 5.2-like force field for organic molecules), and reduced protein models.
Find Ghemical at: http://www.bioinformatics.org/ghemical/ghemical/index.html

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Posted in Molecular Dynamics, Molecule Viewers and Editors | Leave a comment

NAB

Posted on February 23, 2001 by Dan Gezelter

The NAB molecular manipulation language – a computer language (specified through lex and yacc) that allows nucleic acid structures to be described in a hierarchical fashion, using a language similar to C or awk, but designed especially for the manipulatio
Find NAB at: http://www.scripps.edu/case/casegr-sh-2.2.html#sh-2.2

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EGO

Posted on February 23, 2001 by Dan Gezelter

A Program for Efficient Parallel Molecular Dynamics
Find EGO at: http://heller.userweb.mwn.de/ego/

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MPQC

Posted on February 23, 2001 by Dan Gezelter

MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrodinger equation. It runs on a wide range of architectures ranging from single many-core computers to massively parallel computers. Its design is object oriented, using the C++ programming language.
Find MPQC at: http://www.mpqc.org/

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ORAC

Posted on February 23, 2001 by Dan Gezelter

ORAC is a program for running classical simulations of biomolecules. Simulations can be carried out in the NVE, NPT, NHP, and NVT thermodynamic ensembles.
Find ORAC at: http://www.chim.unifi.it/orac/

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LAPACK

Posted on February 23, 2001 by Dan Gezelter

Linear Algebra Package
Find LAPACK at: http://www.netlib.org/lapack/index.html

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ATLAS

Posted on February 23, 2001 by Dan Gezelter

Automatically Tuned Linear Algebra Software
Find ATLAS at: http://www.netlib.org/atlas/index.html

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Physis

Posted on February 23, 2001 by Dan Gezelter

Artificial life research platform to study the evolvability of different assembly-like computer languages.
Find Physis at: http://sourceforge.net/projects/physis/

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