OEMMFFParams¶
Attention
This API is currently available in C++ and Python.
class OEMMFFParams : public OEMolPotential::OEFFParams
The OEMMFFParams class provides the ability to retrieve parameters used in the MMFF94 force field.
- The following methods are publicly inherited from OEFFParams:
- CreateCopy
- GetCoulombParams
- GetStretchParams
- GetAtomTypeIndex
- GetEquilibriumAngle
- GetTorsionParams
- GetAtomTypeName
- GetEquilibriumBondLength
- GetVdwParams
- GetBendParams
- GetOutOfPlaneParams
- GetVdwRadius
- GetContactDistance
- GetStretchBendParams
- PrepMol
- GetVdwParams
- GetStretchParams
- GetBendParams
- GetTorsionParams
- GetOutOfPlaneParams
- HasVdwParams
- HasStretchParams
- HasBendParams
- HasTorsionParams
- GetTitle
- The following classes derive from this class: