mchem

Contents:

  • Example: Solvate and Parameterize
  • M-Chem database (.db) format
  • Trajectory conversion (trjconv)
  • API Reference
mchem
  • Overview: module code

All modules for which code is available

  • mchem.element
  • mchem.fileformats.pdb
  • mchem.forcefield.base
  • mchem.forcefield.generators
  • mchem.solvate
  • mchem.system
  • mchem.template
  • mchem.terms.base
  • mchem.terms.bonded
  • mchem.terms.nonbonded
  • mchem.topology
  • mchem.trjconv

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