molsysmt.element.group.small_molecule.is_small_molecule

molsysmt.element.group.small_molecule.is_small_molecule(name)

Check whether a group name corresponds to a small molecule (ligand or cofactor).

Parameters:

name (str) – Residue or group name as stored in the topology (e.g. 'ATP', 'HEM', 'LIG').

Returns:

True if name belongs to the set of known small-molecule group names, False otherwise.

Return type:

bool

Notes

The recognised names are defined in molsysmt.element.group.small_molecule.group_names.

Added in version 1.0.0.