biomol.BioMol#

class BioMol(atom_container, residue_container, chain_container, index_table, metadata=None)[source]#

Bases: Generic[A_co, R_co, C_co]

A class representing a biomolecular structure.

Parameters:

atom_container (FeatureContainer) – The container holding atom-level features.
residue_container (FeatureContainer) – The container holding residue-level features.
chain_container (FeatureContainer) – The container holding chain-level features.
index_table (IndexTable) – The index table mapping atoms, residues, and chains.
metadata (dict[str, Any] | None, optional) – Additional metadata associated with the biomolecular structure.

Attributes

`atoms`	View of the atoms in the selection.
`chains`	View of the chains in the selection.
`index_table`	The index table mapping atoms, residues, and chains.
`metadata`	The metadata associated with the biomolecular structure.
`residues`	View of the residues in the selection.

Methods

`concat`	Concatenate multiple BioMol objects.
`copy`	Create a deep copy of the BioMol.
`from_bytes`	Deserialize the container from zstd-compressed bytes.
`from_dict`	Create a BioMol object from a dictionary.
`get_container`	Get the feature container for a specific structure level.
`remove_features`	Remove features at a specific structure level.
`to_bytes`	Serialize the container to zstd-compressed bytes.
`to_dict`	Convert the BioMol object to a dictionary.
`update_features`	Update features at a specific structure level.