openff.pablo
PDB loader that uses the CCD to read most PDB files without guessing bonds
Modules
Exceptions for the PDB loader. |
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Tools for reading and patching the PDB Chemical Component Dictionary (CCD). |
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Classes for defining custom residues. |
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Chemical information for re-use across residue databases. |
Module Attributes
The CCD, with commonly-required patches for biomolecular simulation. |
Functions
Load a PDB file into an OpenFF |
Classes
Description of a residue from the Chemical Component Dictionary (CCD). |