rdkit_to_params package

Subpackages

• rdkit_to_params.cli package
  • Module contents
• rdkit_to_params.rdkitside package
  • Submodules
  • rdkit_to_params.rdkitside.utilities module
  • Module contents

Module contents

The class Params is the main class of the package. It is used to generate the params file (residuetype definitions for Rosetta) from an RDKit molecule or another params file.

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Submodules

rdkit_to_params.constraint module

rdkit_to_params.entries module