Source code for boltz_data.external.rcsb

"""RCSB PDB API integration functions."""

import gemmi
import requests

from boltz_data.cif import read_single_cif_from_file




def get_current_rcsb_pdb_ids() -> list[str]:
    """Fetch the list of current PDB IDs from RCSB PDB."""
    url = "https://data.rcsb.org/rest/v1/holdings/current/entry_ids"
    response = requests.get(url, timeout=30)
    data: list[str] = response.json()
    return data





def get_mmcif_from_rcsb(*, pdb_id: str) -> gemmi.cif.Block:
    """
    Download and parse an mmCIF file from RCSB PDB.

    Args:
        pdb_id: The PDB identifier to download.

    Returns:
        The parsed mmCIF block.

    """
    url = f"https://files.rcsb.org/download/{pdb_id}.cif.gz"
    return read_single_cif_from_file(url)