Function write_pdb_single

flowdock/utils/visualization_utils.py:287–304

Write a single model to a PDB file. :param result: Model results batch. :param out_path: Output path. :param model: Model ID. :param b_factors: Optional B-factors.

(
    result: ModelOutput,
    out_path: str = os.path.join("test_results", "debug.pdb"),
    model: int = 1,
    b_factors: Optional[np.ndarray] = None,
)

def write_pdb_single(
    result: ModelOutput,
    out_path: str = os.path.join("test_results", "debug.pdb"),
    model: int = 1,
    b_factors: Optional[np.ndarray] = None,
):
    """Write a single model to a PDB file.

    :param result: Model results batch.
    :param out_path: Output path.
    :param model: Model ID.
    :param b_factors: Optional B-factors.
    """
    os.makedirs(os.path.dirname(out_path), exist_ok=True)
    protein = from_prediction(result["features"], result, b_factors=b_factors)
    out_string = to_pdb(protein, model=model)
    with open(out_path, "w") as of:
        of.write(out_string)


def write_pdb_models(