Class DockingUtils
- java.lang.Object
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- com.actelion.research.chem.docking.DockingUtils
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public class DockingUtils extends java.lang.Object
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static Matrix
calculateMassCovarianceMatrix(Conformer conf)
static Matrix
createInitialOrientation(Conformer conf)
static Coordinates
getCOM(Conformer conf)
static Coordinates
getCOM(StereoMolecule conf)
static Coordinates
randomVectorInSphere(java.util.Random r)
static void
repairLig(StereoMolecule lig)
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Method Detail
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getCOM
public static Coordinates getCOM(Conformer conf)
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getCOM
public static Coordinates getCOM(StereoMolecule conf)
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randomVectorInSphere
public static Coordinates randomVectorInSphere(java.util.Random r)
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repairLig
public static void repairLig(StereoMolecule lig)
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