INNER CODE UNIT · Python

main_driver

Electrostatics/pdb2pqr · pdb2pqr/main.py:899

def main_driver(args: argparse.Namespace):
    """Main driver for running program from the command line.

    Validate inputs, launch PDB2PQR, handle output.

    :param args:  command-line arguments
    :type args:  argparse.Namespace
    """
    _LOGGER.debug(f"Invoked with arguments: {args}")
    print_splash_screen(args)
    _LOGGER.info("Checking and transforming input arguments.")
    args = transform_arguments(args)
    check_files(args)
    check_options(args)
    _LOGGER.info("Loading topology files.")
    definition = io.get_definitions()
    _LOGGER.info(f"Loading molecule: {args.input_path}")
    pdblist, is_cif = io.get_molecule(args.input_path)

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