charmm topic

List charmm repositories

acpype

174
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45
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OFFICIAL: AnteChamber PYthon Parser interfacE

verified publisher icon alanwilter

pytim

76
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32
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a python package for the interfacial analysis of molecular simulations

verified publisher icon Marcello-Sega

ParaMol

26
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3
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A Package for Parametrization of Molecular Mechanics Force Fields

verified publisher icon JMorado

Longbow

17
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3
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Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.

verified publisher icon HECBioSim

OPLSAA-DB

31
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7
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Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS...

verified publisher icon leelasd

dabble

17
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7
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Membrane protein builder and parameterizer

verified publisher icon Eigenstate

glycosylator

28
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11
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Framework for the rapid modeling glycans and glycoproteins.

verified publisher icon tlemmin