Getting Started
Release Notes
Toolkit API
Release Cycle
OEChem Toolkit
OEDepict Toolkit
Grapheme Toolkit
GraphSim Toolkit
Lexichem Toolkit
OEMedChem Toolkit
MolProp Toolkit
Quacpac Toolkit
FastROCS Toolkit
OEFF Toolkit
Theory
Examples
API
OEOpt Classes
OEMolPotential Classes
OEMolPotential Constants
OEConstr Classes
OEMolMMFF Classes
OEMolSmirnoff Classes
OESmirnoff
OESmirnoffParams
OESmirnoffBend
OESmirnoffCoulomb
OESmirnoffInterVdw
OESmirnoffOutOfPlane
OESmirnoffStretch
OESmirnoffTorsion
OESmirnoffVdw
OEMolMMFF Functions
OESheff Classes
OEFF Classes
OEFF Functions
OEFF Functions
Release Notes
Bibliography
Indices and Tables
OEDocking Toolkit
Omega Toolkit
Shape Toolkit
Spicoli Toolkit
Spruce Toolkit
Szmap Toolkit
Szybki Toolkit
Zap Toolkit
Toolkits--cpp
Docs
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OEFF Toolkit 2.1.0
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OEMolSmirnoff Classes
OEMolSmirnoff Classes
ΒΆ
OESmirnoff
Constructors
operator=
PrepMol
OESmirnoffParams
Constructors
operator=
GetVdwParams
GetStretchParams
GetBendParams
GetTorsionParams
GetOutOfPlaneParams
HasVdwParams
HasStretchParams
HasBendParams
HasTorsionParams
OESmirnoffBend
Constructors
operator=
Set
OESmirnoffCoulomb
Constructors
operator=
Set
OESmirnoffInterVdw
Constructors
SetHostFlex
GetVar
AdaptHostCoords
OESmirnoffOutOfPlane
Constructors
operator=
Set
OESmirnoffStretch
Constructors
operator=
Set
OESmirnoffTorsion
Constructors
operator=
Set
OESmirnoffVdw
Constructors
operator=
Set