diff --git a/mdpath/mdpath.py b/mdpath/mdpath.py index d62883b..846b36d 100644 --- a/mdpath/mdpath.py +++ b/mdpath/mdpath.py @@ -239,7 +239,7 @@ def main(): ) # Exports image of the Graph to PNG # Calculate paths - path_total_weights = graph_builder.collect_path_total_weights(df_distant_residues) + path_total_weights = graph_builder.collect_path_total_weights_parallel(df_distant_residues, num_parallel_processes) sorted_paths = sorted(path_total_weights, key=lambda x: x[1], reverse=True) with open("output.txt", "w") as file: for path, total_weight in sorted_paths[:numpath]: