Getting Started
OEToolkits 2020.2
Toolkit API
Release Cycle
OEChem Toolkit
OEDepict Toolkit
OEDocking Toolkit
Grapheme Toolkit
GraphSim Toolkit
Lexichem Toolkit
OEMedChem Toolkit
MolProp Toolkit
Omega Toolkit
Quacpac Toolkit
Shape Toolkit
Spicoli Toolkit
Szmap Toolkit
Szybki Toolkit
Zap Toolkit
Toolkits--csharp
Docs
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OEFF Classes
OEFF Classes
ΒΆ
OEMMFFIEFF
Constructors
OEMMFFIEFFOptions
Constructors
operator=
GetIEFFTerms
GetMMFFTerms
GetUseMMFF94s
SetIEFFTerms
SetMMFFTerms
SetUseMMFF94s
OEMMFFSheffield
Constructors
OEMMFFSheffieldOptions
Constructors
operator=
GetDielectric
GetExponent
GetForceFieldType
SetDielectric
SetExponent
SetForceFieldType
OEFF14SBSmirnoff
Constructors
operator=
OEFF14SBSmirnoffParams
Constructors
operator=
Load
OEFF14SBParsley
Constructors
operator=
OEFF14SBParsleyParams
Constructors
operator=