INNER CODE UNIT · Python

check_options

Electrostatics/pdb2pqr · pdb2pqr/main.py:290

def check_options(args):
    """Sanity check options.

    :param args:  command-line arguments
    :type args:  argparse.Namespace
    :raises RuntimeError:  silly option combinations were encountered.
    """
    for option, new_value in IGNORED_PROPKA_OPTIONS.items():
        if option in args:
            value = getattr(args, option)
            if value:
                _LOGGER.warning(
                    f"PROPKA option '{option}' {getattr(args, option)} is not "
                    f"processed correctly by PDB2PQR. Ignoring."
                )
                setattr(args, option, new_value)
    if (args.ph < 0) or (args.ph > 14):
        err = (

View source record →

📰 Research Paper
Loading…
⏳ Fetching content…