Class ShapeDocking
- java.lang.Object
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- com.actelion.research.chem.docking.shape.ShapeDocking
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public class ShapeDocking extends java.lang.Object
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Constructor Summary
Constructors Constructor Description ShapeDocking(ShapeVolume negRecImage, Transformation transformation)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description java.util.List<StereoMolecule>
dock(StereoMolecule candidate)
void
setThreadMaster(ThreadMaster tm)
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Constructor Detail
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ShapeDocking
public ShapeDocking(ShapeVolume negRecImage, Transformation transformation)
- Parameters:
negRecImage
-transformation
- : transformation used during creation of ShapeVolume of NegRecImage (translate COM to (0,0,0)
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Method Detail
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setThreadMaster
public void setThreadMaster(ThreadMaster tm)
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dock
public java.util.List<StereoMolecule> dock(StereoMolecule candidate)
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