biotite.structure.io.mol.get_structure

biotite.structure.io.mol.get_structure(mol_file)[source]

Get an AtomArray from the MOL file.

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

Parameters
mol_fileMOLFile

The MOL file.

Returns
arrayAtomArray

This AtomArray contains the optional charge annotation and has an associated BondList. All other annotation categories, except element are empty.