API

OEDocking API

• OEDocking Classes
  • OEDockOptions
  • OEDock
  • OEHybrid
  • OEMakeReceptorOptions
  • OEPoseOptimizer
  • OEPoseOptimizerOptions
  • OEPosit
  • OEPositOptions
  • OEPositProbability
  • OEPositResults
  • OEScore
  • OESinglePoseResult
• OEDocking Constants
  • OEAllowedClashType
  • OEDockingReturnCode
  • OEDockMethod
  • OENegativeImageType
  • OEPoseRelaxMode
  • OEPositMethod
  • OEProteinConstraintType
  • OEScoreType
  • OESearchResolution
• OEDocking Functions
  • OEAddDockingInteractions
  • OECreateDUFromReceptorMol
  • OEDockingGetArch
  • OEDockingGetLicensee
  • OEDockingGetPlatform
  • OEDockingGetRelease
  • OEDockingGetSite
  • OEDockingGetVersion
  • OEDockingReturnCodeGetName
  • OEDockMethodConfigure
  • OEDockMethodGetName
  • OEDockMethodGetValue
  • OEGetEstimatedPositProbability
  • OEGetPositMethod
  • OEHasClash
  • OEMakeBoxMolecule
  • OEMakeReceptor
  • OENegativeImageTypeGetName
  • OENegativeImageTypeGetValue
  • OEPositMethodGetName
  • OEScoreTypeGetName
  • OEScoreTypeGetValue
  • OESearchResolutionGetName
  • OESearchResolutionGetValue
  • OESetEnergyScore
  • OESetEnergyScoreComponent
  • OESetSDScore
  • OESetSDScoreComponent
  • OESetScore
  • OESetScoreComponent
  • OESetupBox

Preliminary OEDocking API

• Preliminary OEDocking Classes
  • OEShapeFit
  • OEShapeFitOptions
  • OEShapeFitResults

Deprecated OEDocking API

• OEDocking Classes (Deprecated)
  • OEAlignReceptorFunction
  • OEBoxBase
  • OEBox
  • OECustomConstraints
  • OEFeature
  • OEProteinConstraint
  • OESphereBase
• OEDocking Functions (Deprecated)
  • OEAlignReceptors
  • OEBoxArea
  • OEBoxExtend
  • OEBoxTranslate
  • OEBoxVolume
  • OEBoxXDim
  • OEBoxXMid
  • OEBoxYDim
  • OEBoxYMid
  • OEBoxZDim
  • OEBoxZMid
  • OEInBox
  • OEInSphere
  • OEIsReceptor
  • OEMakeReceptorDeprecated
  • OENegativeImageTypeConfigure
  • OEReadReceptorFile
  • OEReadReceptorFromByteArray
  • OEReceptorAddCachedScore
  • OEReceptorAddExtraMol
  • OEReceptorClear
  • OEReceptorClearBoundLigand
  • OEReceptorClearCachedScore
  • OEReceptorClearCustomConstraints
  • OEReceptorClearExtraMols
  • OEReceptorClearProteinConstraint
  • OEReceptorClearProteinConstraints
  • OEReceptorGetBoundLigand
  • OEReceptorGetCustomConstraints
  • OEReceptorGetExtraMols
  • OEReceptorGetInnerContourLevel
  • OEReceptorGetNegativeImageGrid
  • OEReceptorGetOuterContourLevel
  • OEReceptorGetProteinConstraints
  • OEReceptorHasBoundLigand
  • OEReceptorHasCachedScore
  • OEReceptorHasCustomConstraints
  • OEReceptorHasExtraMols
  • OEReceptorHasInnerContourLevel
  • OEReceptorHasNegativeImageGrid
  • OEReceptorHasOuterContourLevel
  • OEReceptorHasProteinConstraints
  • OEReceptorSetBoundLigand
  • OEReceptorSetCachedScore
  • OEReceptorSetCustomConstraints
  • OEReceptorSetInnerContourLevel
  • OEReceptorSetOuterContourLevel
  • OEReceptorSetProteinConstraint
  • OEScoreTypeConfigure
  • OESearchResolutionConfigure
  • OESetupBox
  • OESetupBoxCenterAndExtents
  • OESphereArea
  • OESphereVolume
  • OEWriteReceptorFile
  • OEWriteReceptorToByteArray

OEModels API

• Preliminary OEModels Classes
  • OEROCSQueryModelBuilder
  • OEROCSQueryModelOptions