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AntibodyStructureBatch

Bases: StructureBatch

from_pdb(pdb_path, heavy_chain_id=None, light_chain_id=None, antigen_chain_ids=None, numbering_scheme='chothia', keep_fv_only=False, **kwargs) classmethod

Initialize an AntibodyStructureBatch from a PDB file or a list of PDB files.

Examples:

Initialize a StructureBatch object from a single PDB file,

>>> pdb_path = '1a0a.pdb'
>>> sb = StructureBatch.from_pdb(pdb_path)

or with a list of PDB files.

>>> pdb_paths = ['1a0a.pdb', '1a0b.pdb']
>>> sb = StructureBatch.from_pdb(pdb_paths)

Parameters:

Name Type Description Default
pdb_path Union[str, List[str]]

Path to a PDB file or a list of paths to PDB files.

required
heavy_chain_id List[str]

Chain ID of the heavy chain.

None
light_chain_id List[str]

Chain ID of the light chain.

None
antigen_chain_ids List[List[str]]

Chain IDs of the antigen chains. Defaults to None

None

Returns:

Name Type Description
AntibodyStructureBatch AntibodyStructureBatch

An AntibodyStructureBatch object.