OEMMFFAmberComplex¶
Attention
This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.
class OEMMFFAmberComplex : public OEComplexFF
The OEMMFFAmberComplex
represents a force field
for a protein-ligand complex system, where both the
protein and ligand intra-molecular interactions are described with
OEMMFFParams
and the inter-molecular interactions
are described with Amber.
- 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¶
OEMMFFAmberComplex(const OEMolMMFF::OEMMFFParams& params = OEMolMMFF::OEMMFFParams(),
const OEMolPotential::OENonBondIntcsOptions& opts = OEMolPotential::OENonBondIntcsOptions())
OEMMFFAmberComplex(const OEMMFFAmberComplex&)
Default and copy constructors.