OEFF14SBSmirnoffComplex

Attention

PRELIMINARY-IMAGE This is a preliminary API until Spring 2021 and may be improved based on user feedback. It is currently available in C++ and Python.

class OEFF14SBSmirnoffComplex : public OEComplexFF

The OEFF14SBSmirnoffComplex represents a force field for a protein-ligand complex system, where the interactions are described with OEFF14SBSmirnoffParams.

The following methods are publicly inherited from OEFunc0:
The following methods are publicly inherited from OEFunc1:
The following methods are publicly inherited from OEMolFunc:
The following methods are publicly inherited from OEComplexFF:

Constructors

OEFF14SBSmirnoffComplex(const OEFF14SBSmirnoffParams& params = OEFF14SBSmirnoffParams(),
                   const OEMolPotential::OENonBondIntcsOptions& opts = OEMolPotential::OENonBondIntcsOptions())
OEFF14SBSmirnoffComplex(const OEFF14SBSmirnoffComplex&)

Default and copy constructors.