meshi.energy.simpleEnergyTerms.compositeTorsions.ramachandran
Class RamachandranParameters

java.lang.Object
  meshi.energy.simpleEnergyTerms.compositeTorsions.ramachandran.RamachandranParameters

All Implemented Interfaces:

Parameters, CompositeTorsionsDefinitions

public class RamachandranParameters
extends java.lang.Object
implements Parameters, CompositeTorsionsDefinitions

Field Summary

private SplinedPolynomial	propPolynomial polynomial for this residue
private int	residueType residue type

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

RamachandranParameters(int residueType, SplinedPolynomialsLoader spl)

Method Summary

double	evaluate(int derivVar, ResidueTorsions resTorsions)
int	getResidueType() returns rotamer's residue type

Methods inherited from class java.lang.Object

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

Field Detail

residueType

private final int residueType

residue type

propPolynomial

private SplinedPolynomial propPolynomial

polynomial for this residue

Constructor Detail

RamachandranParameters

public RamachandranParameters(int residueType,
                              SplinedPolynomialsLoader spl)

Method Detail

getResidueType

public int getResidueType()

returns rotamer's residue type

evaluate

public double evaluate(int derivVar,
                       ResidueTorsions resTorsions)