python_pdb.records module

Dataclasses to store PDB record information.

class python_pdb.records.AtomRecord(atom_num: int, atom_name: str, alt_loc: str | None, res_name: str, chain_id: str, seq_id: int, insert_code: str | None, x_pos: float, y_pos: float, z_pos: float, occupancy: float, b_factor: float, element: str, charge: str | None)

Bases: ParticleRecord

property record_type: str: Type of record.

class python_pdb.records.EndModelRecord

Bases: Record

property record_type: str: Type of record.

class python_pdb.records.HetAtomRecord(atom_num: int, atom_name: str, alt_loc: str | None, res_name: str, chain_id: str, seq_id: int, insert_code: str | None, x_pos: float, y_pos: float, z_pos: float, occupancy: float, b_factor: float, element: str, charge: str | None)

Bases: ParticleRecord

property record_type: str: Type of record.

class python_pdb.records.ModelRecord(serial_number: int | None)

Bases: Record

MODEL record.

serial_number

can optionally have a serial number associated with the model.

Type:: int | None

property record_type: str: Type of record.

serial_number: int | None

class python_pdb.records.ParticleRecord(atom_num: int, atom_name: str, alt_loc: str | None, res_name: str, chain_id: str, seq_id: int, insert_code: str | None, x_pos: float, y_pos: float, z_pos: float, occupancy: float, b_factor: float, element: str, charge: str | None)

Bases: Record

alt_loc: str | None

atom_name: str

atom_num: int

b_factor: float

chain_id: str

charge: str | None

element: str

insert_code: str | None

occupancy: float

res_name: str

seq_id: int

x_pos: float

y_pos: float

z_pos: float

class python_pdb.records.Record

Bases: object

Base record from which all others are inherited.