Class HBTerm
- java.lang.Object
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- com.actelion.research.chem.docking.scoring.chemscore.HBTerm
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- All Implemented Interfaces:
PotentialEnergyTerm
public class HBTerm 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 HBTerm
create(Conformer receptor, Conformer ligand, int acceptor, int donor, int hydrogen, boolean isLigAtomAcceptor, boolean isLigAtomDonor, int[] acceptorNeighbours, double scale)
double
getFGValue(double[] gradient)
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Method Detail
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create
public static HBTerm create(Conformer receptor, Conformer ligand, int acceptor, int donor, int hydrogen, boolean isLigAtomAcceptor, boolean isLigAtomDonor, int[] acceptorNeighbours, double scale)
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getFGValue
public double getFGValue(double[] gradient)
- Specified by:
getFGValue
in interfacePotentialEnergyTerm
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