• Toolkit Version 2024.1
    • OEToolkits 2024.1.3
    • OEToolkits 2024.1.0
      • Release Highlights 2024.1.0
      • General Notices
    • Detailed Release Notes 2024.1
      • Bioisostere TK 4.0.0
      • OEChem TK 4.1.0
      • OESystem TK 4.1.0
      • OEMath TK 4.1.0
      • OEBio TK 4.1.0
      • OEGrid TK 4.1.0
      • OESystem TK 4.1.0
      • OEMath TK 4.1.0
      • OEDepict TK 2.5.4
      • OEDocking TK 4.3.1.3
      • OEDocking TK 4.3.1.0
      • FastROCS TK 2.2.6
      • Grapheme TK 1.5.1.3
      • Grapheme TK 1.5.1.0
      • GraphSim TK 2.6.0
      • Lexichem TK 2.9.1
      • OEMedChem TK 1.2.2
      • MolProp TK 2.6.4
      • OEFF TK 2.7.1.3
      • OEFF TK 2.7.1
      • Omega TK 5.1.0
      • Quacpac TK 2.2.4
      • Shape TK 3.6.2
      • SiteHopper TK 2.1.0
      • Spicoli TK 1.6.0
      • Spruce TK 1.6.0
      • Szmap TK 1.7.0
      • Szybki TK 2.7.1.3
      • Szybki TK 2.7.1.0
      • Zap TK 2.4.7
    • Recent Release History
      • OEToolkits 2023.2
      • OEToolkits 2023.1
      • Release Highlights 2022.2
      • Release Highlights 2022.1
    • Previous Release History
      • Release Highlights 2021.2
      • Release Highlights 2021.1
      • Release Highlights 2020.2
      • Release Highlights 2020.1
      • 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++
    • License for OpenEye Toolkits
    • Prerequisites
      • Windows
      • Linux
      • macOS
    • GPU Prerequisites
    • GPU-Related Requirements
      • Supported Platforms
      • Supported GPUs
      • NVIDIA Drivers
      • Performance Tuning
    • Download the OpenEye C++ distribution
    • Installation
    • How to Build the Toolkit Examples
      • Building the Examples (Linux / macOS)
      • Building the Examples (Windows)
      • Running the Examples
    • Building Toolkit Projects
      • Building with CMake (Linux / macOS)
      • Single-Build Distributions (Linux)
      • Building with CMake (Windows)
      • Building Directly with Other Build Tools
    • How to import the toolkits
    • Library Dependencies
    • Legal Notices
      • Copyright and Trademarks
      • Sample Code
      • Citation
      • Technology Licensing
  • Informatics and Modeling Toolkits
    • OEChem TK
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
    • Bioisostere TK
      • Theory
      • Bioisostere Examples
      • API
      • Release History
    • OEDepict TK
      • Introduction
      • Theory
      • Examples
      • API
      • Appendices
      • Release History
    • OEDocking TK
      • Introduction
      • Theory
      • OEDocking Examples
      • OEMakeReceptor Examples
      • OEModels Examples
      • API
      • Release History
    • FastROCS™ TK
      • Introduction
      • FastROCS vs ROCS
      • Installation
      • FastROCS Architecture
      • Examples
      • Tutorials
      • API
      • Release History
    • OEFF TK
      • Theory
      • OEFF Examples
      • OEFF API
      • Release History
    • Grapheme™ TK
      • Introduction
      • Theory
      • Examples
      • Preliminary API
      • API
      • Release History
    • GraphSim TK
      • Introduction
      • Theory
      • GPU Fast Fingerprints
      • Examples
      • API
      • Release History
    • Lexichem TK
      • Theory
      • Examples
      • API
      • Release History
    • OEMedChem TK
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
    • MolProp TK
      • Theory
      • Examples
      • API
      • Release History
    • Omega TK
      • Theory
      • GPU-Omega
      • OMEGA Examples
      • API
      • Release History
    • Quacpac TK
      • Theory
      • Examples
      • API
      • Preliminary API
      • Release History
    • Shape TK
      • Theory
      • Examples
      • API
      • Deprecated API
      • Release History
    • SiteHopper TK
      • Introduction
      • GPU-Related Requirements
      • Examples
      • Preliminary OESiteHopper API
      • Release History
    • Spicoli TK
      • Theory
      • API
      • Release History
    • Spruce TK
      • Introduction
      • Theory
      • Iridium
      • Examples
      • OESpruce API
      • Release History
    • Szmap TK
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
    • Szybki TK
      • Introduction
      • Theory
      • API
      • Preliminary API
      • Examples: Working with Szybki TK
      • Release History
    • Zap TK
      • Theory and Examples
      • API
      • Release History
  • OpenEye Glossary of Terms
  • Bibliography
Toolkits--cpp
  • All OpenEye Documentation »
  • Contents »
  • Informatics and Modeling Toolkits »
  • OEFF Toolkit 2.7.1.3 »
  • OEFF API »
  • OEFF Classes

OEFF Classes¶

  • OEComplexEnergies
    • Constructors
    • operator=
    • GetComplexSolvationEnergy
    • GetDesolvationEnergy
    • GetHostComponents
    • GetHostEnergy
    • GetHostSolvationEnergy
    • GetInterComponents
    • GetInterEnergy
    • GetLigandComponents
    • GetLigandEnergy
    • GetLigandSolvationEnergy
    • GetTotalEnergy
  • OEComplexFF
    • Constructors
    • AdaptHostCoords
    • GetVar
    • Set
    • SetHostFlex
    • SetNonBondCutoff
    • SetupHost
  • OEComplexFFParameter
    • Constructors
    • operator=
  • OEFF14SBParsleyComplex
    • Constructors
  • OEFF14SBSmirnoffComplex
    • Constructors
  • OEForceFieldParameter
    • Constructors
    • operator=
  • OEMMFFAmberComplex
    • Constructors
  • OEMMFFComplex
    • Constructors
  • 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=
  • OESmirnoffComplex
    • Constructors
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