Getting Started
OEToolkits 2020.2
Toolkit API
Release Cycle
OEChem Toolkit
OEDepict Toolkit
OEDocking Toolkit
FastROCS Toolkit
OEFF Toolkit
Theory
Examples
API
Preliminary API
Preliminary OEMolPotential Classes
Preliminary OEFF Classes
OEComplexEnergies
OEComplexFF
OEComplexFFParameter
OEFF14SBParsleyComplex
OEFF14SBSmirnoffComplex
OEForceFieldParameter
OEMMFFAmberComplex
OEMMFFComplex
OESmirnoffComplex
Release Notes
Bibliography
Indices and Tables
Grapheme Toolkit
GraphSim Toolkit
Lexichem Toolkit
OEMedChem Toolkit
MolProp Toolkit
Omega Toolkit
Quacpac Toolkit
Shape Toolkit
Spicoli Toolkit
Spruce Toolkit
Szmap Toolkit
Szybki Toolkit
Zap Toolkit
Toolkits--cpp
Docs
»
OEFF Toolkit 2.3.0.0
»
Preliminary OEFF Classes
Preliminary OEFF Classes
ΒΆ
OEComplexEnergies
Constructors
operator=
GetHostComponents
GetHostEnergy
GetInterComponents
GetInterEnergy
GetLigandComponents
GetLigandEnergy
GetTotalEnergy
OEComplexFF
Constructors
AdaptHostCoords
GetVar
Set
SetHostFlex
SetupHost
OEComplexFFParameter
Constructors
operator=
OEFF14SBParsleyComplex
Constructors
OEFF14SBSmirnoffComplex
Constructors
OEForceFieldParameter
Constructors
operator=
OEMMFFAmberComplex
Constructors
OEMMFFComplex
Constructors
OESmirnoffComplex
Constructors