tooluniverse.tools.get_chem_comp_charge_and_ambiguity module

get_chem_comp_charge_and_ambiguity

Retrieve the formal charge and ambiguity flag of a chemical component.

tooluniverse.tools.get_chem_comp_charge_and_ambiguity.get_chem_comp_charge_and_ambiguity(pdb_id, *, stream_callback=None, use_cache=False, validate=True)

Retrieve the formal charge and ambiguity flag of a chemical component.

Parameters:

• pdb_id (str) – Chemical component ID to query charge and ambiguity

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

• use_cache (bool, default False) – Enable caching

• validate (bool, default True) – Validate parameters

Return type:

Any