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. |