from alphapulldown.utils import * import io import warnings import subprocess from absl import app import os from alphapulldown.utils.modelling_setup import get_run_alphafold from alphapulldown.utils.create_combinations import process_files import argparse from os import makedirs from typing import Dict, List from os.path import exists, join from alphapulldown.folding_backend import FoldingBackendManager from alphapulldown.objects import MultimericObject, MonomericObject from alphapulldown.utils.modelling_setup import create_interactors from absl import logging logging.set_verbosity(logging.INFO) import tempfile import os import subprocess import numpy as np from alphafold.data.tools import jackhmmer from alphafold.data import parsers from alphafold.data import pipeline_multimer from alphafold.data import pipeline from alphafold.data import msa_pairing from alphafold.data import feature_processing from pathlib import Path as plPath from typing import List, Dict from colabfold.batch import unserialize_msa, get_msa_and_templates, msa_to_str, build_monomer_feature from alphapulldown.utils.multimeric_template_utils import (extract_multimeric_template_features_for_single_chain, prepare_multimeric_template_meta_info) from alphapulldown.utils.file_handling import temp_fasta_file import json import os import pickle,gzip import time from absl import logging from alphafold.common import protein from alphafold.common import residue_constants from alphafold.relax import relax import numpy as np import jax.numpy as jnp from alphapulldown.utils.modelling_setup import get_run_alphafold