OEMMFFComplex

Attention

This API is currently available in C++ and Python.

class OEMMFFComplex : public OEComplexFF

The OEMMFFComplex provides a predefined interface to use OEMMFF for all interactions in a protein-ligand complex.

The following methods are publicly inherited from OEFunc0:

• operator()

• GetFComponents

• NumVar

The following methods are publicly inherited from OEFunc1:

• operator()

The following methods are publicly inherited from OEMolFunc:

• Clear

• ClearPredicates

• GetInteractions

• Setup

The following methods are publicly inherited from OEComplexFF:

• AdaptHostCoords

• GetVar

• Set

• SetHostFlex

• SetNonBondCutoff

• SetupHost

Constructors

OEMMFFComplex(params: OEMMFFParams = OEMolMMFF_OEMMFFParams(),
              opts: OENonBondIntcsOptions = OENonBondIntcsOptions()) -> OEMMFFComplex
OEMMFFComplex(arg2: OEMMFFComplex) -> OEMMFFComplex

Default and copy constructors.