Getting Started
Best Practices for Java
OEToolkits 2020.2
Toolkit API
Release Cycle
OEChem Toolkit
OEDepict Toolkit
OEDocking Toolkit
Introduction
Theory
Examples
API
Deprecated API
OEDocking Classes
OEAlignReceptorFunction
OEBoxBase
OEBox
OECustomConstraints
OEFeature
OEProteinConstraint
OESphereBase
OEDocking Functions
Release Notes
Bibliography
Indices and Tables
FastROCS Toolkit
Grapheme Toolkit
GraphSim Toolkit
Lexichem Toolkit
OEMedChem Toolkit
MolProp Toolkit
Omega Toolkit
Quacpac Toolkit
Shape Toolkit
Spicoli Toolkit
Szmap Toolkit
Szybki Toolkit
Zap Toolkit
Toolkits--java
Docs
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OEDocking Toolkit 4.0.0.0
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OEDocking Classes
OEDocking Classes
ΒΆ
OEAlignReceptorFunction
SetupTarget
operator()
CreateCopy
OEBoxBase
operator=
Destructor
GetXMax
GetYMax
GetZMax
GetXMin
GetYMin
GetZMin
Setup
OEBox
Constructors
operator=
GetXMax
GetYMax
GetZMax
GetXMin
GetYMin
GetZMin
Setup
OECustomConstraints
Constructors
operator=
GetFeatures
AddFeature
DeleteFeature
NumFeatures
Clear
OEFeature
operator=
Destructor
GetSpheres
AddSphere
DeleteSphere
NumSpheres
ClearSpheres
GetSmarts
AddSmarts
DeleteSmarts
NumSmarts
ClearSmarts
SetFeatureName
GetFeatureName
SetEnabled
GetEnabled
CreateCopy
OEProteinConstraint
GetAtom
GetType
GetEnabled
GetName
SetAtom
SetType
SetName
SetEnabled
OESphereBase
Destructor
operator=
GetX
GetY
GetZ
GetRad
SetRad
SetCenter