LigandResEnergies

java.lang.Object

edu.duke.cs.osprey.energy.LigandResEnergies

public class LigandResEnergies extends Object

For each residue in a ligand, calculate its interactions with the target

Constructor Summary

Constructors

Constructor

Description

LigandResEnergies(ParamSet params)
Method Summary

Modifier and Type

Method

Description

double

calcLigandResEnergy(Residue res)

void

printEnergies()

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details
- LigandResEnergies
  
  public LigandResEnergies(ParamSet params)
Method Details
- printEnergies
  
  public void printEnergies()
- calcLigandResEnergy
  
  public double calcLigandResEnergy(Residue res)