Getting Started
Front Matter
Installation
Using C# with VS2015
Using C# with VS2013
How to import the toolkits
Release Notes
Release Highlights 2018.Oct
Detailed Release Notes
Previous Release Highlights
Toolkit API
Release Cycle
OEChem Toolkit
Introduction
OEChem Theory
OESystem Theory
OEBio Theory
OEGrid Theory
Examples
OEChem API
OESystem API
OEPlatform API
OEMath API
OEBio API
Release Notes
Glossary and Bibliography
Indices and tables
OEDepict Toolkit
Introduction
Theory
Examples
Appendices
API
Release Notes
Glossary and Bibliography
Indices and Tables
Grapheme Toolkit
Introduction
Theory
Examples
API
Preliminary API
Release Notes
Indices and Tables
GraphSim Toolkit
Introduction
Theory
Examples
API
Release Notes
Glossary and Bibliography
Indices and Tables
Lexichem Toolkit
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
OEMedChem Toolkit
Introduction
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
MolProp Tookit
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
Quacpac Toolkit
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
OEDocking Toolkit
Introduction
Theory
API
Release Notes
Bibliography
Indices and Tables
Omega Toolkit
Theory
Examples
API
Preliminary API
Release Notes
Bibliography
Indices and Tables
Shape Toolkit
Theory
Examples
API
Deprecated API
Release Notes
Bibliography
Indices and Tables
Spicoli Toolkit
Theory
API
Release Notes
Glossary and Bibliography
Indices and Tables
Szmap Toolkit
Introduction
Theory and Examples
API
Release Notes
Bibliography
Indices and Tables
Szybki Toolkit
Theory
API
Examples
Release Notes
Bibliography
Indices and Tables
Zap Toolkit
Theory and Examples
API
Release Notes
Reference
Toolkits-2018.Oct.1-csharp
Docs
»
OEFF Classes
OEFF Classes
ΒΆ
OEMMFFAmber
Constructors
OEMMFFIEFF
Constructors
OEMMFFAmberOptions
Constructors
operator=
GetAmberTerms
GetIntermolecularVdWCutoff
GetMMFFTerms
GetUseExternalCharges
GetUseMMFF94s
SetAmberTerms
SetIntermolecularVdWCutoff
SetMMFFTerms
SetUseExternalCharges
SetUseMMFF94s
OEMMFFIEFFOptions
Constructors
operator=
GetIEFFTerms
GetMMFFTerms
GetUseMMFF94s
SetIEFFTerms
SetMMFFTerms
SetUseMMFF94s
OEMMFFSheffield
Constructors
OEMMFFSheffieldOptions
Constructors
operator=
Dielectric
Exponent
ForceFieldType