Getting Started
Front Matter
Prerequisites
Licensing
Download the OpenEye C++ distribution
Installation
Toolkit Examples
Building Toolkit Projects
GCC Licensing
How to import the toolkits
Release Notes
Release Highlights 2017.Jun
Detailed Release Notes
Previous Release Highlights
Toolkit API
Release Cycle
OEChem Toolkit
Introduction
OEChem Theory
OESystem Theory
OEBio Theory
OEGrid Theory
Examples
OEChem API
OESystem API
OEPlatform API
OEMath API
OEBio API
Release Notes
Glossary and Bibliography
Indices and tables
OEDepict Toolkit
Introduction
Theory
Examples
Appendices
Preliminary API
API
Release Notes
Glossary and Bibliography
Indices and Tables
Grapheme Toolkit
Introduction
Theory
Examples
Preliminary API
API
Release Notes
Indices and Tables
GraphSim Toolkit
Introduction
Theory
Examples
API
Release Notes
Glossary and Bibliography
Indices and Tables
Lexichem Toolkit
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
OEMedChem Toolkit
Introduction
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
MolProp Tookit
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
Quacpac Toolkit
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
OEFF Toolkit
Theory
API
Examples
Release Notes
Bibliography
Indices and Tables
OEDocking Toolkit
Introduction
Theory
API
Release Notes
Bibliography
Indices and Tables
Omega Toolkit
Theory
Examples
API
Release Notes
Indices and Tables
Shape Toolkit
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
Spicoli Toolkit
Theory
API
Release Notes
Glossary and Bibliography
Indices and Tables
Szmap Toolkit
Introduction
Theory and Examples
API
Release Notes
Bibliography
Indices and Tables
Szybki Toolkit
Theory
API
Examples
Release Notes
Bibliography
Indices and Tables
Zap Toolkit
Theory and Examples
API
Release Notes
Reference
Toolkits-2017.Jun.1-cpp
Docs
»
OEFastROCS Classes
OEFastROCS Classes
ΒΆ
OEDBTracer
Constructors
GetCounts
GetHistogram
GetNumBins
GetTotal
SetTotal
Update
OEDBTracerBase
GetNumBins
SetTotal
Update
OEFastROCSHistogram
Constructors
operator=
GetHistogram
GetNumBins
Update
OEShapeDatabase
Constructors
AddMol
GetColorForceFieldType
GetColorGridSpacing
GetDatabaseType
GetMaxNumDevices
GetMaxOptIterations
GetNumDevices
GetNumOpenThreads
GetScores
GetShapeGridSpacing
GetSortedScores
NumConfs
Open
PrintMemoryUsage
SetColorGridSpacing
SetMaxOptIterations
SetNumDevices
SetNumOpenThreads
SetShapeGridSpacing
OEShapeDatabaseOptions
Constructors
operator=
ClearCutoff
ClearTracer
ClearUserStarts
GetCutoff
GetCutoffGT
GetCutoffLT
GetInitialOrientation
GetLimit
GetMaxConfs
GetMaxOverlays
GetNumInertialStarts
GetNumStarts
GetNumColorAtomStarts
GetNumHeavyAtomStarts
GetNumUserStarts
GetScoreType
GetSimFunc
GetTracer
GetTverskyAlpha
GetTverskyBeta
GetUserStarts
HasCutoff
HasCutoffGT
HasCutoffLT
SetCutoff
SetCutoffGT
SetCutoffLT
SetInitialOrientation
SetLimit
SetMaxConfs
SetMaxOverlays
SetNumInertialStarts
SetScoreType
SetSimFunc
SetTracer
SetTverskyCoeffs
SetUserStarts
OEShapeDatabaseScore
Constructors
GetColorScore
GetColorTanimoto
GetColorTversky
GetConfIdx
GetMolIdx
GetQuat
GetRotMatrix
GetScore
GetShapeScore
GetShapeTanimoto
GetShapeTversky
GetSimFunc
GetTanimotoCombo
GetTranslation
GetTverskyCombo
Transform