Classical Molecular Interaction Potentials (CMIP)

CMIP performs a series of analysis centered in the obtention of molecular interaction potentials using classic formalisms: Electrostatic interactions through coulombic potentials with several dielectric options or Poisson-Boltzmann equation Van de Waals potentials computed from the Lennard-Jones expression Electrostatic Solvation energy evaluated from PB potentials Hydrophobic Solvation from surface analysis with a variety of alternative scales.

Topics

Collections

Details

License:
Apache-2.0
Maturity:
Mature
Cost:
Free of charge
Tool Type:
command-line tool
Operating Systems:
Linux, Mac
Programming Languages:
Fortran
Added:
8/31/2023
Last Updated:
11/24/2024

Operations

Data Inputs & Outputs

Protein property calculation

Publications

Documentation

Downloads

Links

Repository
https://mmb.irbbarcelona.org/gitlab/gelpi/CMIP
(Source Code in GitLab)

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