cifkit.preprocessors.format module

cifkit.preprocessors.format.preprocess_label_element_loop_values(file_path: str) → None

Modify the atomic label site text in a .cif file.

.cif files may have the atomic labels in symbolic forms such as “M1” and some also have two elements provided such as “In1,Co3B”. Each case is handled with specific examples demonstrated in the source and test code.