diff --git a/alphapulldown/create_individual_features.py b/alphapulldown/create_individual_features.py index 53d8bf11..32abf5fb 100644 --- a/alphapulldown/create_individual_features.py +++ b/alphapulldown/create_individual_features.py @@ -32,7 +32,7 @@ flags = run_af.flags # All flags -flags.DEFINE_bool("use_mmseqs2", False, "Use mmseqs2 remotely or not. Default is False") +flags.DEFINE_string("use_mmseqs2", "false", "Use mmseqs2 remotely or not. 'true' or 'false', default is 'false'") flags.DEFINE_bool("save_msa_files", False, "Save MSA output or not") flags.DEFINE_bool("skip_existing", False, "Skip existing monomer feature pickles or not") flags.DEFINE_string("new_uniclust_dir", None, "Directory where new version of uniclust is stored") @@ -52,6 +52,7 @@ flags.DEFINE_float("plddt_threshold", 0, "Threshold for pLDDT score (default: 0)") FLAGS = flags.FLAGS + MAX_TEMPLATE_HITS = 20 flags_dict = FLAGS.flag_values_dict() @@ -195,6 +196,7 @@ def create_and_save_monomer_objects(monomer, pipeline): with output_meta_file(metadata_output_path) as meta_data_outfile: save_meta_data(flags_dict, meta_data_outfile) + FLAGS.use_mmseqs2 = FLAGS.use_mmseqs2.lower() == 'true' # Create features if FLAGS.use_mmseqs2: logging.info("Running MMseqs2 for feature generation...")