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3993320 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 | """Generate the small summary sidecar used by the deployed MuSProt app."""
from __future__ import annotations
import argparse
import json
import sys
from pathlib import Path
sys.path.insert(0, str(Path(__file__).resolve().parents[1]))
from app.protein.data_loader import DataManager
def main() -> None:
parser = argparse.ArgumentParser()
parser.add_argument("database", type=Path)
parser.add_argument("-o", "--output", type=Path, default=Path("musprot_summary.json"))
args = parser.parse_args()
manager = DataManager(args.database)
manager.load_data()
summary = manager.get_summary_stats()
filters = manager.get_filters_data()
summary.update(
{
"tm_score_range": {"min": filters["tm_min"], "max": filters["tm_max"]},
"rmsd_range": {"min": filters["rmsd_min"], "max": filters["rmsd_max"]},
"length_range": {"min": filters["length_min"], "max": filters["length_max"]},
}
)
args.output.write_text(json.dumps(summary, indent=2), encoding="utf-8")
print(f"Wrote {args.output}")
if __name__ == "__main__":
main()
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