Package pl.poznan.put.pdb.analysis

Class ResidueTorsionAngles

java.lang.Object
pl.poznan.put.pdb.analysis.ResidueTorsionAngles
Direct Known Subclasses:
ImmutableResidueTorsionAngles
@Immutable public abstract class ResidueTorsionAngles extends Object
A collection of torsion angles values for a single residue.

  • Constructor Details

    • ResidueTorsionAngles

      public ResidueTorsionAngles()

  • Method Details

    • calculate

      public static ResidueTorsionAngles calculate(List<PdbResidue> residues, int index)
      Calculates all torsion angles' values in the given residue.
      Parameters:
      residues - The list of all residues.
      index - The index of residue in the list.
      Returns:
      An instance of this class with all torsion angles' values calculated.

    • identifier

      @Parameter(order=1) public abstract PdbResidueIdentifier identifier()
      Returns:
      The residue identifier.

    • values

      @Parameter(order=2) protected abstract List<TorsionAngleValue> values()
      Returns:
      The list of torsion angles' values.

    • value

      public final Angle value(TorsionAngleType type)
      Finds the value of specific torsion angle type in this collection.
      Parameters:
      type - The type of torsion angle to look for.
      Returns:
      The value of torsion angle in this residue or NaN if none found.

    • value

      public final Angle value(MasterTorsionAngleType masterType)
      Finds the value of a master torsion angle type in this collection.
      Parameters:
      masterType - The master torsion angle tyoe to look for.
      Returns:
      The value of torsion angle in this residue or NaN if none found.