OEMMFF¶
Attention
This API is currently available in C++ and Python.
class OEMMFF : public OEMolPotential::OEGenericFF2
The OEMMFF
class facilitates creation of an instance of a partial or
full MMFF94 or MMFF94s force field. In addition, a force field instance can be extended by
adding externally defined potential functions.

- The following methods are publicly inherited from
OEFunc0
: - The following methods are publicly inherited from
OEFunc1
: - The following methods are publicly inherited from
OEFunc2
: - The following methods are publicly inherited from
OEMolFunc
: - The following methods are publicly inherited from
OEForceField
: - The following methods are publicly inherited from
OEGenericFF2
:
Constructors¶
OEMMFF(const OEMMFFParams& params, const OEMolPotential::OENonBondIntcsOptions& opts = OEMolPotential::OENonBondIntcsOptions())
OEMMFF(const OEMMFF&)
Default and copy constructors.