tooluniverse.tools.get_ligand_smiles_by_chem_comp_id module

get_ligand_smiles_by_chem_comp_id

Retrieve the SMILES chemical structure string for a given chemical component (ligand) ID.

tooluniverse.tools.get_ligand_smiles_by_chem_comp_id.get_ligand_smiles_by_chem_comp_id(chem_comp_id, *, stream_callback=None, use_cache=False, validate=True)[source]

Retrieve the SMILES chemical structure string for a given chemical component (ligand) ID.

Parameters:

  • chem_comp_id (str) – Chemical component ID (e.g., ‘ATP’)

  • stream_callback (Callable, optional) – Callback for streaming output

  • use_cache (bool, default False) – Enable caching

  • validate (bool, default True) – Validate parameters

Return type:

Any