Class MetalTerm
- java.lang.Object
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- com.actelion.research.chem.docking.scoring.chemscore.MetalTerm
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- All Implemented Interfaces:
PotentialEnergyTerm
public class MetalTerm extends java.lang.Object implements PotentialEnergyTerm
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description static MetalTerm
create(Conformer ligand, int acceptor, int[] acceptorNeighbours, Coordinates fitPoint, double scale)
double
getFGValue(double[] gradient)
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Method Detail
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create
public static MetalTerm create(Conformer ligand, int acceptor, int[] acceptorNeighbours, Coordinates fitPoint, double scale)
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getFGValue
public double getFGValue(double[] gradient)
- Specified by:
getFGValue
in interfacePotentialEnergyTerm
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