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2 changes: 1 addition & 1 deletion mdpath/mdpath.py
Original file line number Diff line number Diff line change
Expand Up @@ -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]:
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