OELigandFFTypeΒΆ

This namespace contains constants that define force fields type appropriate for working with ligands.

MMFF94

The Merck Molecular Force Field (MMFF). Name: mmff94

MMFF94S

The 94s variation of the Merck Molecular Force Field (MMFF). Name: mmff94s

PARSLEY

The latest version (1.3.1) of the Parsley series of force field from the OPENFF consortium. Name: parsley

SAGE

The latest version (2.0.0) of the Sage series of force field from the OPENFF consortium. Name: sage