OEOmegaForceFieldTypeΒΆ

This namespace contains constants that are used with OEOmegaOptions.SetBuildForceField or with OEOmegaOptions.SetSearchForceField to control the force field interactions to be used for structure generation with omega.

MMFF

The Merck Molecular Force Field (MMFF).

MMFF_NOESTAT

The MMFF foecefield without electrostatics.

MMFF_TRUNC

The MMFF foecefield truncated at potential minimum.

MMFF_SHEFF

The MMFF foecefield with sheffield solvation.

MMFF94S

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

MMFF94S_NOESTAT

The MMFF94S foecefield without electrostatics.

MMFF94S_TRUNC

The MMFF94S foecefield truncated at potential minimum.

MMFF94S_SHEFF

The MMFF94S foecefield with sheffield solvation.