`get_structure`#

biotite.structure.io.mol.get_structure(mol_file, record_name=None)[source]#

Get an AtomArray from the MOL file.

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

Parameters:

mol_fileMOLFile or SDFile or SDRecord: The file.
record_namestr, optional: Has only an effect when mol_file is a SDFile. The name of the record in the SD file. By default, the first record is used.

Returns:

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