meshi.energy.simpleEnergyTerms.compositeTorsions.smoothRotamerLibrary
Class SmoothRotamerLibraryEnergyElementChi4

java.lang.Object
  meshi.energy.EnergyElement
      meshi.energy.simpleEnergyTerms.compositeTorsions.smoothRotamerLibrary.SmoothRotamerLibraryEnergyElement
          meshi.energy.simpleEnergyTerms.compositeTorsions.smoothRotamerLibrary.SmoothRotamerLibraryEnergyElementChi4

All Implemented Interfaces:

CompositeTorsionsDefinitions

public class SmoothRotamerLibraryEnergyElementChi4
extends SmoothRotamerLibraryEnergyElement
implements CompositeTorsionsDefinitions

Smooth rotamer library parameters for amino acids with four sidechain torsion angles: LYS, ARG.

Field Summary

Fields inherited from class meshi.energy.simpleEnergyTerms.compositeTorsions.smoothRotamerLibrary.SmoothRotamerLibraryEnergyElement

residueTorsions, srlp, weight

Fields inherited from class meshi.energy.EnergyElement

atoms, dFormatSrt, dFormatStd, DX, frozen, relativeDiffTolerance, VERY_SMALL, XYZ

Fields inherited from interface meshi.energy.simpleEnergyTerms.compositeTorsions.CompositeTorsionsDefinitions

ALL, CHI_1, CHI_2, CHI_3, CHI_4, COIL, HELIX, NUM_SIDECHAIN_TORSIONS, OMG, OMNI, PHI, POLYNOMIAL_CHI_1, POLYNOMIAL_CHI_1_CHI_2, POLYNOMIAL_CHI_1_CHI_2_TORSIONS, POLYNOMIAL_CHI_1_CHI_3, POLYNOMIAL_CHI_1_CHI_3_TORSIONS, POLYNOMIAL_CHI_1_CHI_4, POLYNOMIAL_CHI_1_CHI_4_TORSIONS, POLYNOMIAL_CHI_1_TORSIONS, POLYNOMIAL_PHI_PSI, POLYNOMIAL_PHI_PSI_CHI_1, POLYNOMIAL_PHI_PSI_CHI_1_TORSIONS, POLYNOMIAL_PHI_PSI_TORSIONS, PREPRO, PSI, SHEET, TOTAL_TORSION_ANGLES, UNIDENTIFIED_TORSION_TYPE

Constructor Summary

SmoothRotamerLibraryEnergyElementChi4(ResidueTorsions residueTorsions, SmoothRotamerLibraryParameters srlp, double weight)

Method Summary

double	evaluate()
protected boolean	legalResidueType() verifies residue type is a legal residue types for class.

Methods inherited from class meshi.energy.simpleEnergyTerms.compositeTorsions.smoothRotamerLibrary.SmoothRotamerLibraryEnergyElement

monitor, setAtoms

Methods inherited from class meshi.energy.EnergyElement

atoms, evaluateAtoms, frozen, test, updateFrozen

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

SmoothRotamerLibraryEnergyElementChi4

public SmoothRotamerLibraryEnergyElementChi4(ResidueTorsions residueTorsions,
                                             SmoothRotamerLibraryParameters srlp,
                                             double weight)

Method Detail

legalResidueType

protected boolean legalResidueType()

Description copied from class: SmoothRotamerLibraryEnergyElement

verifies residue type is a legal residue types for class.

Specified by:

legalResidueType in class SmoothRotamerLibraryEnergyElement

evaluate

public double evaluate()

Specified by:

evaluate in class EnergyElement