• 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
    • Installation
      • Introduction
      • Prerequisites
      • GPU Prerequisites
      • Download the OpenEye .Net distribution
      • Installation
      • The Global Assembly Cache
    • Using C# with VS2022
      • 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
    • How to import the toolkits
    • Legal Notices
      • Copyright and Trademarks
      • Sample Code
      • Citation
      • Technology Licensing
  • Informatics and Modeling Toolkits
    • OEChem TK
      • Introduction
      • Theory
      • 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
    • Grapheme™ TK
      • Introduction
      • Theory
      • Examples
      • Preliminary API
      • API
      • Release History
    • GraphSim TK
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
      • Index
    • 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
      • OMEGA Examples
      • API
      • Release History
    • Quacpac TK
      • Theory
      • Examples
      • API
      • Preliminary API
      • Release History
    • Shape TK
      • Theory
      • Examples
      • API
      • Deprecated API
      • Release History
    • Spicoli TK
      • Theory
      • API
      • Release History
    • Szmap TK
      • Introduction
      • Theory
      • Examples
      • API
      • Release History
    • Szybki Toolkit
      • Introduction
      • Theory
      • API
      • Preliminary API
      • Examples: Working with Szybki TK
      • Release History
    • Zap Toolkit
      • Theory and Examples
      • API
      • Release History
  • OpenEye Glossary of Terms
  • Bibliography
Toolkits--csharp
  • All OpenEye Documentation »
  • Contents »
  • Informatics and Modeling Toolkits »
  • OEDocking Toolkit 4.3.1.3 »
  • API »
  • OEDocking Classes

OEDocking Classes¶

  • OEDockOptions
    • Constructor
    • operator=
    • GetResolution
    • GetScoreMethod
    • SetResolution
    • SetScoreMethod
  • OEDock
    • Constructor
    • IsInitialized
    • Initialize
    • DockMultiConformerMolecule
    • GetHighScoresAreBetter
    • GetName
    • GetComponentNames
    • ScoreLigand
    • ScoreAtom
    • ScoreLigandComponent
    • ScoreAtomComponent
    • AnnotatePose
    • CacheScoringSetup
  • OEHybrid
    • Constructor
  • OEMakeReceptorOptions
    • Constructor
    • operator=
    • GetAutoConstraints
    • GetBoxExtension
    • GetBoxMol
    • GetNegativeImageType
    • GetTargetMask
    • GetTargetPred
    • SetAutoConstraints
    • SetBoxExtension
    • SetBoxMol
    • SetNegativeImageType
    • SetTargetMask
    • SetTargetPred
  • OEPoseOptimizer
    • Constructor
    • operator=
    • Optimize
  • OEPoseOptimizerOptions
    • Constructor
    • operator=
    • GetFlexRange
    • GetForceField
    • GetNonBondCutoff
    • SetFlexRange
    • SetForceField
    • SetNonBondCutoff
  • OEPosit
  • OEPositOptions
    • Constructor
    • operator=
  • OEPositProbability
    • Constructor
    • operator=
    • Estimate
    • PoseEstimate
    • SetupRef
  • OEPositResults
    • Constructors
    • operator=
    • GetNumPoses
    • GetReturnCode
    • GetSinglePoseResults
  • OEScore
    • Constructor
  • OESinglePoseResult
    • Constructors
    • operator=
    • GetDesignUnit
    • GetTargetMask
    • GetTargetPred
    • GetHasClash
    • GetNumContacts
    • GetNumClashes
    • GetPose
    • GetPositMethod
    • GetProbability
    • GetReceptorIndex
    • GetRelaxed
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