pestifer.charmmff package

This package provides classes and methods for handling CHARMM force field files. It interfaces directly with the tarballed CHARMM force field in its freshly downloaded state, stored in the pestifer.resources subpackage. It includes functionality for handling atom types, residues, and patches. It also provides capabilities for generating PDB files for residues like lipids for use in membrane-packing using packmol.

Subpackages

Submodules