Package pl.poznan.put.pdb.analysis
Class ResidueTorsionAngles
- java.lang.Object
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- pl.poznan.put.pdb.analysis.ResidueTorsionAngles
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- Direct Known Subclasses:
ImmutableResidueTorsionAngles
@Immutable public abstract class ResidueTorsionAngles extends Object
A collection of torsion angles values for a single residue.
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Constructor Summary
Constructors Constructor Description ResidueTorsionAngles()
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Method Summary
All Methods Static Methods Instance Methods Abstract Methods Concrete Methods Modifier and Type Method Description static ResidueTorsionAnglescalculate(List<PdbResidue> residues, int index)Calculates all torsion angles' values in the given residue.abstract PdbResidueIdentifieridentifier()Anglevalue(MasterTorsionAngleType masterType)Finds the value of a master torsion angle type in this collection.Anglevalue(TorsionAngleType type)Finds the value of specific torsion angle type in this collection.protected abstract List<TorsionAngleValue>values()
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Method Detail
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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.
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identifier
@Parameter(order=1) public abstract PdbResidueIdentifier identifier()
- Returns:
- The residue identifier.
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values
@Parameter(order=2) protected abstract List<TorsionAngleValue> values()
- Returns:
- The list of torsion angles' values.
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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.
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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.
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