OpenFF Pablo 0.0.0.dev0+versionmissing documentation logo
  • OpenFF Pablo 0.0.0.dev0+versionmissing documentation
  • openff.pablo
  • exceptions
exceptions
openff-pablo

OpenFF Pablo 0.0.0.dev0+versionmissing documentation

openff-pablo

User's Guide

  • Overview
  • Glossary

The Pablo Book

  • 1. Quickstart: Loading standard PDBs
  • 2. Why Pablo is different
  • 3. How Pablo loads PDB files
  • 4. The residue library
  • 5. Creating custom residue definitions
  • 6. additional_definitions: Residue-free chemical templates
  • 7. Customizing CCD access

Developer's Guide

  • PDB Test Suite

API Reference

  • openff.pablo
    • exceptions
      • PabloError
      • ResidueValidationError
      • PdbResidueMatchError
      • UnknownOrAmbiguousSerialInConectError
      • MissingAtomError
    • ccd
    • residue
    • chem
    • STD_CCD_CACHE
    • topology_from_pdb
    • ResidueDefinition

exceptions

Exceptions for the PDB loader.

Exceptions

PabloError

A generic Pablo error.

ResidueValidationError

A newly created ResidueDefinition is invalid.

PdbResidueMatchError

A residue could not be matched to a residue definition while loading a file.

UnknownOrAmbiguousSerialInConectError

While parsing a PDB file, a CONECT record has an incorrect atom serial.

MissingAtomError

A required atom is missing from a ResidueDefinition.

openff.pablo
PabloError
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