Uses of Interface
pl.poznan.put.pdb.analysis.PdbResidue
Packages that use PdbResidue
Package
Description
Contains classes responsible for PDB/mmCIF data modelling and analysis.
Contains classes which work on data from PDB or mmCIF files.
Package contains classes useful in describing secondary structure (base pairs, helices, etc.)
Contains classes dealing with torsion angles handling.
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Uses of PdbResidue in pl.poznan.put.pdb
Methods in pl.poznan.put.pdb that return PdbResidueModifier and TypeMethodDescriptionfinal PdbResidue
PdbRemark465Line.toResidue()
Creates an instance ofDefaultPdbResidue
marked as missing and without atoms. -
Uses of PdbResidue in pl.poznan.put.pdb.analysis
Classes in pl.poznan.put.pdb.analysis that implement PdbResidueModifier and TypeClassDescriptionclass
A default implementation of a residue (nucleotide or amino acid).final class
Immutable implementation ofDefaultPdbResidue
.Methods in pl.poznan.put.pdb.analysis that return PdbResidueModifier and TypeMethodDescriptiondefault PdbResidue
ResidueCollection.findResidue
(ChainNumberICode query) Finds a residue by a triplet (chain, number, icode).Methods in pl.poznan.put.pdb.analysis that return types with arguments of type PdbResidueModifier and TypeMethodDescriptionAbstractPdbModel.residues()
Groups together atoms from the same residue and repeat that for every residue.DefaultCifModel.residues()
DefaultPdbModel.residues()
abstract List<PdbResidue>
DefaultResidueCollection.residues()
ImmutableDefaultCifModel.residues()
Groups together atoms from the same residue and repeat that for every residue.ImmutableDefaultPdbModel.residues()
Groups together atoms from the same residue and repeat that for every residue.ImmutableDefaultResidueCollection.residues()
ImmutablePdbChain.residues()
ImmutablePdbCompactFragment.residues()
abstract List<PdbResidue>
PdbChain.residues()
abstract List<PdbResidue>
PdbCompactFragment.residues()
ResidueCollection.residues()
Methods in pl.poznan.put.pdb.analysis with parameters of type PdbResidueModifier and TypeMethodDescriptionImmutableDefaultResidueCollection.Builder.addResidues
(PdbResidue element) Adds one element toresidues
list.ImmutableDefaultResidueCollection.Builder.addResidues
(PdbResidue... elements) Adds elements toresidues
list.ImmutablePdbChain.Builder.addResidues
(PdbResidue element) Adds one element toresidues
list.ImmutablePdbChain.Builder.addResidues
(PdbResidue... elements) Adds elements toresidues
list.ImmutablePdbCompactFragment.Builder.addResidues
(PdbResidue element) Adds one element toresidues
list.ImmutablePdbCompactFragment.Builder.addResidues
(PdbResidue... elements) Adds elements toresidues
list.boolean
MoleculeType.areConnected
(PdbResidue r1, PdbResidue r2) Checks if two residues are connected.ImmutableDefaultPdbResidue.Builder.from
(PdbResidue instance) Fill a builder with attribute values from the providedpl.poznan.put.pdb.analysis.PdbResidue
instance.default boolean
PdbResidue.isConnectedTo
(PdbResidue other) Checks if this residue is connected with another one (seeMoleculeType.areConnected(PdbResidue, PdbResidue)
).ImmutableDefaultResidueCollection.withResidues
(PdbResidue... elements) Copy the current immutable object with elements that replace the content ofresidues
.final ImmutablePdbChain
ImmutablePdbChain.withResidues
(PdbResidue... elements) Copy the current immutable object with elements that replace the content ofresidues
.ImmutablePdbCompactFragment.withResidues
(PdbResidue... elements) Copy the current immutable object with elements that replace the content ofresidues
.Method parameters in pl.poznan.put.pdb.analysis with type arguments of type PdbResidueModifier and TypeMethodDescriptionImmutableDefaultResidueCollection.Builder.addAllResidues
(Iterable<? extends PdbResidue> elements) Adds elements toresidues
list.ImmutablePdbChain.Builder.addAllResidues
(Iterable<? extends PdbResidue> elements) Adds elements toresidues
list.ImmutablePdbCompactFragment.Builder.addAllResidues
(Iterable<? extends PdbResidue> elements) Adds elements toresidues
list.static ResidueTorsionAngles
ResidueTorsionAngles.calculate
(List<PdbResidue> residues, int index) Calculates all torsion angles' values in the given residue.ImmutableDefaultResidueCollection.of
(Iterable<? extends PdbResidue> residues) Construct a new immutableDefaultResidueCollection
instance.ImmutableDefaultResidueCollection.of
(List<PdbResidue> residues) Construct a new immutableDefaultResidueCollection
instance.static ImmutablePdbChain
ImmutablePdbChain.of
(String identifier, Iterable<? extends PdbResidue> residues) Construct a new immutablePdbChain
instance.static ImmutablePdbChain
ImmutablePdbChain.of
(String identifier, List<PdbResidue> residues) Construct a new immutablePdbChain
instance.static ImmutablePdbCompactFragment
ImmutablePdbCompactFragment.of
(Iterable<? extends PdbResidue> residues) Construct a new immutablePdbCompactFragment
instance.static ImmutablePdbCompactFragment
ImmutablePdbCompactFragment.of
(List<PdbResidue> residues) Construct a new immutablePdbCompactFragment
instance.ImmutableDefaultResidueCollection.Builder.residues
(Iterable<? extends PdbResidue> elements) Sets or replaces all elements forresidues
list.ImmutablePdbChain.Builder.residues
(Iterable<? extends PdbResidue> elements) Sets or replaces all elements forresidues
list.ImmutablePdbCompactFragment.Builder.residues
(Iterable<? extends PdbResidue> elements) Sets or replaces all elements forresidues
list.ImmutableDefaultResidueCollection.withResidues
(Iterable<? extends PdbResidue> elements) Copy the current immutable object with elements that replace the content ofresidues
.final ImmutablePdbChain
ImmutablePdbChain.withResidues
(Iterable<? extends PdbResidue> elements) Copy the current immutable object with elements that replace the content ofresidues
.ImmutablePdbCompactFragment.withResidues
(Iterable<? extends PdbResidue> elements) Copy the current immutable object with elements that replace the content ofresidues
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Uses of PdbResidue in pl.poznan.put.rna
Methods in pl.poznan.put.rna with parameters of type PdbResidueModifier and TypeMethodDescriptiondefault org.apache.commons.math3.geometry.euclidean.threed.Vector3D
Nucleobase.edgeVector
(PdbResidue residue, NucleobaseEdge edge) Method parameters in pl.poznan.put.rna with type arguments of type PdbResidueModifier and TypeMethodDescriptionfinal TorsionAngleValue
PseudophasePuckerType.calculate
(List<PdbResidue> residues, int currentIndex) Calculates the value of pseudophase pucker according to the formula in Saenger's "Principles of ...". -
Uses of PdbResidue in pl.poznan.put.structure
Methods in pl.poznan.put.structure with parameters of type PdbResidueModifier and TypeMethodDescriptionstatic boolean
BasePair.isCanonicalPair
(PdbResidue left, PdbResidue right) Checks if two residues are canonical base pairs by means of (1) distance between atoms which form hydrogen bonds and (2) checking if two bases face each other. -
Uses of PdbResidue in pl.poznan.put.torsion
Method parameters in pl.poznan.put.torsion with type arguments of type PdbResidueModifier and TypeMethodDescriptiondefault TorsionAngleValue
AtomBasedTorsionAngleType.calculate
(List<PdbResidue> residues, int currentIndex) Calculates the value of this torsion angle (seeAngle.torsionAngle(Vector3D, Vector3D, Vector3D, Vector3D)
).final TorsionAngleValue
AverageTorsionAngleType.calculate
(List<PdbResidue> residues, int currentIndex) Calculates the average torsion angle value by calculating basic angle values and creating anAngleSample
out of them to get the mean direction.TorsionAngleType.calculate
(List<PdbResidue> residues, int currentIndex) Calculates the value of this torsion angle.AtomBasedTorsionAngleType.findAtomPairs
(List<PdbResidue> residues, int currentIndex) AppliesresidueRule()
on the given list of residues to find three pairs of atoms: (a1, a2), (a2, a3), (a3, a4).