miniworld.utils.data_refactoring

This file just contains the test data generation.

Functions

AF_Results_filtering([file_path, ...])

Input : AF results folder path Output : None

AF_Results_json_filtering(json_file_path[, ...])

Input : AF results json path, plddt_filtering (float) Output : plddt_filtered (np.array) [It is index of filtered seq]

AF_Results_json_viewer(file_path)

Input : AF results json path Output : None

PDB_parsing_from_pt(PDB_file[, IS_LABEL, source])

Input : PDB file path, IS_LABEL (bool) Output : Protein object

STRING_refactoring([rank_num])

a3m_pickling(a3m_folder[, saving_directory])

Input : a3m folder path Output : None

check_hhr_loaded(hhr_folder, saved_dir)

get_ID_to_source_dict(sources_path_list[, ...])

Input : sources directory path, saving directory path(.txt) Output : ID_to_source_dict (dictionary)

get_csv()

get_hash_dict(msa_folder_path[, saving_path])

get_query_from_a3m(a3m_file_path)

gzip_files()

It's just for convenience.

hhr_dir_rerefactoring([hhr_dir, saving_dir])

hhr_file_rerefactoring(hhr_file_path, saving_dir)

hhr_refactoring(hhr_folder[, saving_directory])

Input : hhr folder path Output : None

mmcif_Full_sequence_parsing(mmcif_file[, output])

Input : mmcif file path Output : Full Sequence

mmcif_full_sequence(mmcif_folder[, ...])

Input : mmcif folder path Output : None

mmcif_line_parser(line[, loop_])

Parses a single line from an mmCIF file..

mmcif_loop_parser(lines_split_by_sharp, ...)

CAUTION !!! mmcif is not well-sturctured file.

mmcif_parsing(mmcif_file[, IS_LABEL])

Input : mmcif file path (~.cif or ~.cif.gz) Output : Protein object

mmcif_pickling(mmcif_folder[, saving_directory])

Input : mmcif folder path Output : None

pdb_Sampling([output_path])

pdb_pickling(pdb_folder[, saving_directory])

Input : pdb folder path Output : None

print_hhr_pt([file_path])

protein_to_template(protein[, position, ...])

Input : Protein object, position (torch.Tensor) Output : ProteinTemplate object This function is used when Alphafold output is used as template.

refactoring_hhr_file(original_hhr_file[, ...])

Input : original hhr file path Do : Refactoring hhr file and save it Output : None

test_a3m()

test_a3m_file(file_path)