Class StrainTerm
- java.lang.Object
-
- com.actelion.research.chem.docking.scoring.idoscore.StrainTerm
-
public class StrainTerm extends java.lang.Object
knowledge-based term for the internal strain of a ligand, composed of the pair-potentials (only atoms further away than 3 bonds from each other)- Author:
- wahljo1
-
-
Constructor Summary
Constructors Constructor Description StrainTerm(StereoMolecule mol)
-
Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
init()
-
-
-
Constructor Detail
-
StrainTerm
public StrainTerm(StereoMolecule mol)
-
-