openff.pablo

PDB loader that uses the CCD to read most PDB files without guessing bonds

Modules

exceptions

Exceptions for the PDB loader.

ccd

Tools for reading and patching the PDB Chemical Component Dictionary (CCD).

residue

Classes for defining custom residues.

chem

Chemical information for re-use across residue databases.

Module Attributes

STD_CCD_CACHE

The CCD, with commonly-required patches for biomolecular simulation.

Functions

topology_from_pdb

Load a PDB file into an OpenFF Topology.

Classes

ResidueDefinition

Description of a residue from the Chemical Component Dictionary (CCD).