pdb_io.PdbFileQuery

class pdb_io.PdbFileQuery(protein_id: str, file_path: str, chain_ids: list[str])[source]

Bases: object

Object representing a specific proteins structure file and the amino protein chain entities that should be parsed from it

protein_id

pdb entity ID of the protein structure

Type:

str

file_path

path to the protein structure file

Type:

str

chain_ids

list of protein chain entities to parse

Type:

list[str]

__init__(protein_id: str, file_path: str, chain_ids: list[str]) None

Methods

__init__(protein_id, file_path, chain_ids)

add_chain(chain_id)

get_polypeptides(pdb_reader, builder)

Identify contiguous chains of amino acids in the protein chain entity

get_structure(pdb_reader)

Parse a protein structure file and return a biopython PDB structure

Attributes

protein_id

file_path

chain_ids

get_polypeptides(pdb_reader: PdbReader, builder: PPBuilder | CaPPBuilder) Generator[PolypeptideEntry, None, None][source]

Identify contiguous chains of amino acids in the protein chain entity

Parameters:
  • pdb_reader (PdbReader) – protein structure file parser

  • builder (PDB.Polypeptide.PPBuilder or PDB.Polypeptide.CaPPBuilder) – polypeptide constructor

Yields:

PolypeptideEntry – contiguous chains of amino acids from the protein chain entry

get_structure(pdb_reader: PdbReader) Structure | None[source]

Parse a protein structure file and return a biopython PDB structure

Parameters:

pdb_reader (str) – protein structure file parser

Returns:

biopython structure entity

Return type:

PDB.Structure.Structure or None