Uses of Interface
com.actelion.research.chem.potentialenergy.PotentialEnergyTerm
-
-
Uses of PotentialEnergyTerm in com.actelion.research.chem.conf.torsionstrain
Classes in com.actelion.research.chem.conf.torsionstrain that implement PotentialEnergyTerm Modifier and Type Class Description class
StatisticalTorsionTerm
Represents a torsion potential as a function of the angle, derived from statistical torsion distributions from the COD/CSD The dihedral angle is defined by a atom sequence of 4 atoms. -
Uses of PotentialEnergyTerm in com.actelion.research.chem.docking.scoring
Fields in com.actelion.research.chem.docking.scoring with type parameters of type PotentialEnergyTerm Modifier and Type Field Description protected java.util.List<PotentialEnergyTerm>
AbstractScoringEngine. constraints
Methods in com.actelion.research.chem.docking.scoring with parameters of type PotentialEnergyTerm Modifier and Type Method Description void
AbstractScoringEngine. addConstraint(PotentialEnergyTerm constraint)
-
Uses of PotentialEnergyTerm in com.actelion.research.chem.docking.scoring.chemscore
Classes in com.actelion.research.chem.docking.scoring.chemscore that implement PotentialEnergyTerm Modifier and Type Class Description class
HBTerm
class
MetalTerm
class
SimpleMetalTerm
-
Uses of PotentialEnergyTerm in com.actelion.research.chem.docking.scoring.idoscore
Classes in com.actelion.research.chem.docking.scoring.idoscore that implement PotentialEnergyTerm Modifier and Type Class Description class
InteractionTerm
ProteinLigandTerm is used to represent the energy between 2 atoms. -
Uses of PotentialEnergyTerm in com.actelion.research.chem.docking.scoring.plp
Classes in com.actelion.research.chem.docking.scoring.plp that implement PotentialEnergyTerm Modifier and Type Class Description class
PLPTerm
piecewise linear potential (PLP) as described in doi:10.1021/ci800298z parameters from model 3 (M3)class
REPTerm
repulsive term, see PLPTerm for reference -
Uses of PotentialEnergyTerm in com.actelion.research.chem.potentialenergy
Classes in com.actelion.research.chem.potentialenergy that implement PotentialEnergyTerm Modifier and Type Class Description class
AngleConstraint
class
BondConstraint
class
EmpiricalLigandStrain
class
PositionConstraint
class
TorsionConstraint
-