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WIP towards writing relaxed structure as modelcif

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This commit is contained in:
Jose Duarte
2023-03-06 15:48:23 -08:00
parent be58750cfc
commit 8a76cc153e
5 changed files with 13 additions and 10 deletions
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2
thread_sequence.py
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@@ -106,7 +106,7 @@ def main(args):
logger.info(f"Output written to {unrelaxed_output_path}...")
logger.info(f"Running relaxation on {unrelaxed_output_path}...")
relax_protein(config, args.model_device, unrelaxed_protein, output_directory, output_name)
relax_protein(config, args.model_device, unrelaxed_protein, output_directory, output_name, False)
if __name__ == "__main__":
parser = argparse.ArgumentParser()