Shape Toolkit Python Programming Manual

Previous: 6. Calculating shape characteristics Up: Shape Toolkit Python Programming Next: 7. Classes

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2 OEShape API

• 7. Classes
  • 7.1 OEBestOverlay
    • 7.1.1 Constructors
    • 7.1.2 operator=
    • 7.1.3 ClearColorForceField
    • 7.1.4 GetAllColor
    • 7.1.5 GetCarbonRadius
    • 7.1.6 GetInertialAxialDivisions
    • 7.1.7 GetInitialOrientation
    • 7.1.8 GetMaxRandomTranslation
    • 7.1.9 GetMethod
    • 7.1.10 GetMinimizeType
    • 7.1.11 GetNumRandomStarts
    • 7.1.12 GetRadiiApproximation
    • 7.1.13 GetRandomSeed
    • 7.1.14 GetRefGrid
    • 7.1.15 GetRefMol
    • 7.1.16 GetRefSelfColor
    • 7.1.17 GetRefSymmetry
    • 7.1.18 GetRepresentationLevel
    • 7.1.19 GetSymmetryThreshold
    • 7.1.20 GetUseHydrogens
    • 7.1.21 Overlay
    • 7.1.22 SetAllColor
    • 7.1.23 SetCarbonRadius
    • 7.1.24 SetColorForceField
    • 7.1.25 SetColorOptimize
    • 7.1.26 SetInertialAxialDivisions
    • 7.1.27 SetInitialOrientation
    • 7.1.28 SetMaxRandomTranslation
    • 7.1.29 SetMethod
    • 7.1.30 SetMinimizeType
    • 7.1.31 SetNumRandomStarts
    • 7.1.32 SetRadiiApproximation
    • 7.1.33 SetRandomSeed
    • 7.1.34 SetRefGrid
    • 7.1.35 SetRefMol
    • 7.1.36 SetRepresentationLevel
    • 7.1.37 SetSymmetryThreshold
    • 7.1.38 SetUseHydrogens
  • 7.2 OEBestOverlayResults
    • 7.2.1 Constructors
    • 7.2.2 operator=
    • 7.2.3 AddScore
    • 7.2.4 Clear
    • 7.2.5 GetScores
  • 7.3 OEBestOverlayScore
    • 7.3.1 Constructors
    • 7.3.2 GetColorTanimoto
    • 7.3.3 GetColorTversky
    • 7.3.4 GetComboScore
    • 7.3.5 GetTanimotoCombo
    • 7.3.6 GetFitColorTversky
    • 7.3.7 GetFitTversky
    • 7.3.8 GetFitTverskyCombo
    • 7.3.9 GetRefColorTversky
    • 7.3.10 GetRefTversky
    • 7.3.11 GetRefTverskyCombo
    • 7.3.12 GetTversky
    • 7.3.13 Transform
  • 7.4 OEColorForceField
    • 7.4.1 Constructors
    • 7.4.2 operator=
    • 7.4.3 AddColorer
    • 7.4.4 AddInteraction
    • 7.4.5 AddType
    • 7.4.6 Clear
    • 7.4.7 ClearInteractions
    • 7.4.8 GetTitle
    • 7.4.9 GetType
    • 7.4.10 GetTypeName
    • 7.4.11 Init
    • 7.4.12 Ready
    • 7.4.13 SetTitle
    • 7.4.14 Write
  • 7.5 OEColorOverlap
    • 7.5.1 Constructors
    • 7.5.2 operator=
    • 7.5.3 ColorScore
    • 7.5.4 GetAllColor
    • 7.5.5 GetSelfColor
    • 7.5.6 SetAllColor
    • 7.5.7 SetColorForceField
    • 7.5.8 SetFitMol
    • 7.5.9 SetRefMol
  • 7.6 OEColorResults
    • 7.6.1 Constructors
    • 7.6.2 GetFitTversky
    • 7.6.3 GetRefTversky
    • 7.6.4 GetTanimoto
    • 7.6.5 GetTversky
  • 7.7 OEHighestColorTanimoto
  • 7.8 OEHighestComboScore
  • 7.9 OEHighestFitColorTversky
  • 7.10 OEHighestFitTversky
  • 7.11 OEHighestFitTverskyCombo
  • 7.12 OEHighestOverlap
  • 7.13 OEHighestRefColorTversky
  • 7.14 OEHighestRefTversky
  • 7.15 OEHighestRefTverskyCombo
  • 7.16 OEHighestScaledColor
  • 7.17 OEHighestTanimoto
  • 7.18 OEHighestTanimotoCombo
  • 7.19 OEOverlap
    • 7.19.1 Constructors
    • 7.19.2 operator=
    • 7.19.3 GetCarbonRadius
    • 7.19.4 GetHandle
    • 7.19.5 GetMethod
    • 7.19.6 GetRadiiApproximation
    • 7.19.7 GetRepresentationLevel
    • 7.19.8 GetUseHydrogens
    • 7.19.9 Overlap
    • 7.19.10 SetCarbonRadius
    • 7.19.11 SetFitGrid
    • 7.19.12 SetFitMol
    • 7.19.13 SetMethod
    • 7.19.14 SetRadiiApproximation
    • 7.19.15 SetRefGrid
    • 7.19.16 SetRefMol
    • 7.19.17 SetRepresentationLevel
    • 7.19.18 SetUseHydrogens
  • 7.20 OEOverlapResults
    • 7.20.1 Constructors
    • 7.20.2 GetFitTversky
    • 7.20.3 GetRefTversky
    • 7.20.4 GetTversky
• 8. OEShape Functions
  • 8.1 OEAddColorAtoms
  • 8.2 OECalcShapeMultipoles
  • 8.3 OECalcVolume
  • 8.4 OECountColorAtoms
  • 8.5 OEHasColorAtoms
  • 8.6 OERemoveColorAtoms
  • 8.7 OESelfColor
  • 8.8 OEShapeGetRelease
  • 8.9 OEShapeGetPlatform
  • 8.10 OEShapeGetVersion
  • 8.11 OEShapeIsLicensed
  • 8.12 OESortOverlayScores
• 9. OEShape Namespaces
  • 9.1 OEBOMinType
  • 9.2 OEBOOrientation
  • 9.3 OEColorFFType
  • 9.4 OEOverlapMethod
  • 9.5 OEOverlapRadii
  • 9.6 OEOverlapRepresentation
• A. Bibliography

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				Shape Toolkit Python Programming Manual

Previous: 6. Calculating shape characteristics Up: Shape Toolkit Python Programming Next: 7. Classes

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Documentation released on June 4, 2008.