biotite.structure.io.mol.set_structure

biotite.structure.io.mol.set_structure(mol_file, atoms, default_bond_type=BondType.ANY)

Set the AtomArray for the MOL file.

Ths function is a thin wrapper around MOLFile.set_structure().

Parameters

mol_fileMOLFile

The MOL file.

arrayAtomArray

The array to be saved into this file. Must have an associated BondList.