Closed padix-key closed 1 month ago
This PR adds functions to repair malformed structures, namely create_continuous_res_ids() and infer_elements(). Furthermore, renumber_atom_ids() and renumber_res_ids() are deprecated
create_continuous_res_ids()
infer_elements()
renumber_atom_ids()
renumber_res_ids()
This PR adds functions to repair malformed structures, namely
create_continuous_res_ids()andinfer_elements(). Furthermore,renumber_atom_ids()andrenumber_res_ids()are deprecated