import os import streamlit as st from pathlib import Path def manage_files(mode): if mode== 1: path_to_input_files = Path('input_files') path_to_domains = path_to_input_files / 'domains.txt' swiss_model_path = path_to_input_files / 'INDEX.json' fisher_path = path_to_input_files / 'significant_domains.txt' path_to_interfaces = path_to_input_files / 'H_sapiens_interfacesHQ.txt' os.makedirs('out_files', exist_ok=True) path_to_output_files = Path('out_files/pdb') os.makedirs(path_to_output_files / 'pdb_structures/', exist_ok=True) os.makedirs(path_to_output_files / 'alignment_files/', exist_ok=True) os.makedirs(path_to_output_files / 'swissmodel_structures/', exist_ok=True) os.makedirs(path_to_output_files / 'modbase_structures/', exist_ok=True) os.makedirs(path_to_output_files / 'modbase_structures_individual/', exist_ok=True) os.makedirs(path_to_output_files / 'freesasa_files/', exist_ok=True) os.makedirs(path_to_output_files / '3D_alignment/', exist_ok=True) path_to_alignment_files = path_to_output_files / 'alignment_files' path_3D_alignment = path_to_output_files / '3D_alignment' path_to_freesasa = path_to_output_files / 'freesasa_files' buffer = path_to_output_files / 'file_buffer.txt' outpath = path_to_output_files / 'feature_vector.txt' return path_to_input_files, path_to_output_files, path_to_domains,fisher_path, path_to_interfaces, buffer elif mode == 2: path_to_input_files = Path('input_files') path_to_domains = path_to_input_files / 'domains.txt' fisher_path = path_to_input_files / 'significant_domains.txt' alphafold_summary = path_to_input_files / 'alphafold_summary.txt' path_to_interfaces = path_to_input_files / 'H_sapiens_interfacesHQ.txt' # Unzip before using alphafold_path = Path(path_to_input_files/'alphafold_structures') os.makedirs('out_files', exist_ok=True) path_to_output_files = Path('out_files/alphafold') os.makedirs(path_to_output_files, exist_ok=True) os.makedirs(path_to_output_files / 'freesasa_files', exist_ok=True) os.makedirs(path_to_output_files / 'alignment_files', exist_ok=True) os.makedirs(path_to_output_files / '3D_alignment', exist_ok=True) return path_to_input_files,path_to_output_files, path_to_domains, fisher_path, path_to_interfaces, alphafold_path, alphafold_summary