Toolkit Version 2021.2
Release Highlights 2021.2
SiteHopper: New Toolkit for Protein Binding Site Comparison
SZYBKI: OpenFF-Sage force field support
OEChem: MMCIF and CIF writers
Detailed Release Notes 2021.2
OEChem TK 3.2.0
OEBio TK 3.2.0
OESystem TK 3.2.0
OEPlatform TK 3.2.0
OEGrid TK 3.2.0
OEMath TK 3.2.0
OEDepict TK 2.4.7
OEDocking TK 4.1.1
FastROCS TK 2.2.1
Grapheme TK 1.4.4
GraphSim TK 2.5.3
Lexichem TK 2.7.4
OEMedChem TK 1.1.5
MolProp TK 2.5.7
OEFF TK 2.4.0
Omega TK 4.1.2
Quacpac TK 2.1.3
Shape TK 3.4.3
SiteHopper TK 2.0.0
Spicoli TK 1.5.2
Spruce TK 1.4.0
Szmap TK 1.6.3
Szybki TK 2.4.0
Zap TK 2.4.2
Recent Release History
Release Highlights 2021.1
Release Highlights 2020.2
Release Highlights 2020.1
Previous Release History
OEToolkits 2019.Oct
OEToolkits 2019.Apr
OEToolkits 2018.Oct
OEToolkits 2018.Feb
OEToolkits 2017.Oct
OEToolkits 2017.Jun
OEToolkits 2017.Feb
OEToolkits 2016.Oct
OEToolkits 2016.Jun
OEToolkits 2016.Feb
OEToolkits 2015.Oct
OEToolkits 2015.Jun
OEToolkits 2015.Feb
OEToolkits 2014.Oct
OEToolkits 2014.Jun
OEToolkits 2014.Feb
OEToolkits 2013.Oct
OEToolkits 2013.Jun
OEToolkits 2013.Feb
OEToolkits 2012.Oct
OEToolkits 2012.Jun
OEToolkits 2012.Feb
OEToolkits 2011.Oct
OEToolkits 2011.1
OEToolkits 1.7.4
OEToolkits 1.7.2
OEToolkits 1.7.1
OEToolkits 1.7.0
Introduction
Toolkit API
Release Cycle
Getting Started with OpenEye C#
Installation
Introduction
Prerequisites
GPU Prerequisites
Licensing
Download the OpenEye .Net distribution
Installation
The Global Assembly Cache
Using C# with VS2017 or VS2019
Creating a new project
Adding references to the OpenEye assemblies
Changing the build target
Adding code to the project
Deploying the program to another machine
Third Party Licensing
Zstandard
InChI
Computational Crystallography Toolbox (CCTBX) / MolProbity
GEMMI - GEneral MacroMolecular I/O
OpenSSL
How to import the toolkits
Legal Notices
Sample Code
Citation
Informatics and Modeling Toolkits
OEChem Toolkit
Introduction
Theory
Examples
API
Release History
Glossary
Bibliography
Index
OEDepict Toolkit
Introduction
Theory
Examples
API
Appendices
Release History
Glossary
Bibliography
Index
OEDocking Toolkit
Introduction
Theory
OEDocking Examples
OEModels Examples
API
Release History
Bibliography
Index
Grapheme Toolkit
Introduction
Theory
Examples
Preliminary API
API
Release History
Index
GraphSim Toolkit
Introduction
Theory
Examples
API
Release History
Glossary
Bibliography
Index
Lexichem Toolkit
Theory
Examples
API
Release History
Bibliography
Index
OEMedChem Toolkit
Introduction
Theory
Examples
API
Release History
Bibliography
Index
MolProp Toolkit
Theory
Examples
API
Release History
Bibliography
Index
Omega Toolkit
Theory
OMEGA Examples
API
Release History
Bibliography
Index
Quacpac Toolkit
Theory
Examples
API
Preliminary API
Release History
Bibliography
Index
Shape Toolkit
Theory
Examples
API
Release History
Bibliography
Index
Spicoli Toolkit
Theory
API
Release History
Glossary
Bibliography
Index
Szmap Toolkit
Introduction
Theory
Examples
API
Release History
Bibliography
Index
Szybki Toolkit
Theory
API
Preliminary API
Examples: Working with Szybki TK
Release History
Bibliography
Index
Zap Toolkit
Theory and Examples
API
Release History
Index
Toolkits--csharp
Docs
»
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
OEFF14SBParsleyComplex
Constructors
OEFF14SBSageComplex
Constructors
OEFF14SBSmirnoff
Constructors
operator=
PrepMol
OEFF14SBSmirnoffParams
Constructors
operator=
Load
OEFF14SBSage
Constructors
operator=
OEFF14SBSageParams
Constructors
operator=
OEFF14SBParsley
Constructors
operator=
OEFF14SBParsleyParams
Constructors
operator=