Class REPTerm
- java.lang.Object
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- com.actelion.research.chem.docking.scoring.plp.REPTerm
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- All Implemented Interfaces:
PotentialEnergyTerm
public class REPTerm extends java.lang.Object implements PotentialEnergyTerm
repulsive term, see PLPTerm for reference
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description static REPTerm
create(Conformer receptor, Conformer ligand, int recAtom, int ligAtom)
double
getFGValue(double[] gradient)
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Field Detail
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A
public static final double A
- See Also:
- Constant Field Values
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B
public static final double B
- See Also:
- Constant Field Values
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B_sq
public static final double B_sq
- See Also:
- Constant Field Values
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C
public static final double C
- See Also:
- Constant Field Values
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D
public static final double D
- See Also:
- Constant Field Values
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Method Detail
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create
public static REPTerm create(Conformer receptor, Conformer ligand, int recAtom, int ligAtom)
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getFGValue
public double getFGValue(double[] gradient)
- Specified by:
getFGValue
in interfacePotentialEnergyTerm
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