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OpenScience / Software / Chemistry / Theoretical and Computational
MMTK
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/
Posted in Theoretical and Computational
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The Brenner Potential
C code for Brenner Potential Molecular Dynamics Find The Brenner Potential at: http://www.rahul.net/pcm/brenner/
Posted in Molecular Dynamics
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TINKER
The TINKER molecular modeling software is a complete and general package for molecular mechanics and dynamics, with some special features for polypeptides. Find TINKER at: http://dasher.wustl.edu/tinker/
Posted in Molecular Dynamics
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nMOLDYN
nMOLDYN is a modular program package for the analysis of Molecular Dynamics simulations. It is especially designed for the computation and decomposition of neutron scattering spectra. Find nMOLDYN at: http://dirac.cnrs-orleans.fr/plone/software/nmoldyn/
Posted in Molecular Dynamics
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ORAC
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/
Posted in Molecular Dynamics
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