OEMMFFSheffieldFFTypeΒΆ

This namespace contains constants that are used with OEMMFFSheffieldOptions to define a specific OEMMFFSheffield forcefield.

MMFF

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

MMFF_NOESTAT

The MMFF forcefield without electrostatics. Name: mmff_NoEstat

MMFF_TRUNC

The MMFF forcefield truncated at potential minimum. Name: mmff_Trunc

MMFF_SHEFF

The MMFF forcefield with Sheffield solvation. Name: mmff_Sheff

MMFF94S

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

MMFF94S_NOESTAT

The MMFF94S forcefield without electrostatics. Name: mmff94s_NoEstat

MMFF94S_TRUNC

The MMFF94S forcefield truncated at potential minimum. Name: mmff94s_Trunc

MMFF94S_SHEFF

The MMFF94S forcefield with Sheffield solvation. Name: mmff94s_Sheff

MMFF94Smod

The modified 94s variation of the Merck Molecular Force Field (MMFF). Name: mmff94smod

MMFF94Smod_NOESTAT

The modified MMFF94S forcefield without electrostatics. Name: mmff94smod_NoEstat

MMFF94Smod_TRUNC

The modified MMFF94S forcefield truncated at potential minimum. Name: mmff94smod_Trunc

MMFF94Smod_SHEFF

The modified MMFF94S forcefield with Sheffield solvation. Name: mmff94smod_Sheff

Invalid

Invalid force field type.