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run

run(density_map, structure, result_dir, options)

Run powerfit on the given density map and structure, saving results to result_dir.

If resuls_dir / solutions.out already exists, it skips the run.

Parameters:

Name Type Description Default
density_map BinaryIO

The density map file to fit the structure into.

required
structure Path

The path to the prepared PDB structure file.

required
result_dir Path

The directory where results will be saved.

required
options PowerfitOptions

Options for running powerfit, including resolution, angle, etc.

required