Package pl.poznan.put.pdb.analysis
Interface ResidueCollection
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- All Superinterfaces:
Serializable
- All Known Subinterfaces:
CifModel,PdbModel,SingleTypedResidueCollection
- All Known Implementing Classes:
AbstractPdbModel,DefaultCifModel,DefaultPdbModel,DefaultResidueCollection,ImmutableDefaultCifModel,ImmutableDefaultPdbModel,ImmutableDefaultResidueCollection,ImmutablePdbChain,ImmutablePdbCompactFragment,PdbChain,PdbCompactFragment
- Functional Interface:
- This is a functional interface and can therefore be used as the assignment target for a lambda expression or method reference.
@FunctionalInterface public interface ResidueCollection extends Serializable
A collection of residues.
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Method Summary
All Methods Instance Methods Abstract Methods Default Methods Modifier and Type Method Description default List<PdbAtomLine>filteredAtoms(MoleculeType moleculeType)Filters atoms in this residue collection.default List<String>findBondLengthViolations()Analyzes atomic bond lenths to find violations (too long or too short) and generates a report in a form of a list of validation messages.default PdbResiduefindResidue(ChainNumberICode query)Finds a residue by a triplet (chain, number, icode).default booleanhasResidue(ChainNumberICode query)Checks if a given (chain, number, icode) is present in this collection of residues.default intindexOf(ChainNumberICode query)Finds a residue by a triplet (chain, number, icode).default List<PdbNamedResidueIdentifier>namedResidueIdentifiers()default List<PdbResidueIdentifier>residueIdentifiers()List<PdbResidue>residues()default Stringsequence()Generates a sequence out of this residue collection.default StringtoCif()Generates a list of ATOM lines in mmCIF format from this instance.default StringtoPdb()Generates a list of ATOM lines in PDB format from this instance.default ResidueCollectionwithoutAlternateLocations()Creates a new instance of this class in which atoms with alternate locations are present only once.
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Method Detail
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residues
List<PdbResidue> residues()
- Returns:
- The list of residues.
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withoutAlternateLocations
default ResidueCollection withoutAlternateLocations()
Creates a new instance of this class in which atoms with alternate locations are present only once.- Returns:
- A copy of the current instance, but without alternate locations in atoms.
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findBondLengthViolations
default List<String> findBondLengthViolations()
Analyzes atomic bond lenths to find violations (too long or too short) and generates a report in a form of a list of validation messages.- Returns:
- A list of error messages.
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hasResidue
default boolean hasResidue(ChainNumberICode query)
Checks if a given (chain, number, icode) is present in this collection of residues.- Parameters:
query- A residue identifier.- Returns:
- True if a given residue is part of this collection.
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findResidue
default PdbResidue findResidue(ChainNumberICode query)
Finds a residue by a triplet (chain, number, icode).- Parameters:
query- A residue identifier.- Returns:
- The residue found in this collection of residues.
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indexOf
default int indexOf(ChainNumberICode query)
Finds a residue by a triplet (chain, number, icode).- Parameters:
query- A residue identifier.- Returns:
- The index of a residue found in this collection of residues.
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sequence
default String sequence()
Generates a sequence out of this residue collection.- Returns:
- A sequence of one-letter-codes e.g. ACGGGG.
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filteredAtoms
default List<PdbAtomLine> filteredAtoms(MoleculeType moleculeType)
Filters atoms in this residue collection.- Parameters:
moleculeType- Type of molecule to leave in the result.- Returns:
- A list of atoms of a given type.
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residueIdentifiers
default List<PdbResidueIdentifier> residueIdentifiers()
- Returns:
- A list of residue identifiers.
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namedResidueIdentifiers
default List<PdbNamedResidueIdentifier> namedResidueIdentifiers()
- Returns:
- A list of named residue identifiers.
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toPdb
default String toPdb()
Generates a list of ATOM lines in PDB format from this instance.- Returns:
- A representation of this residue collection in PDB format.
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toCif
default String toCif()
Generates a list of ATOM lines in mmCIF format from this instance.- Returns:
- A representation of this residue collection in mmCIF format.
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