qp.cluster.struct_to_file.combine_pdbs

qp.cluster.struct_to_file.combine_pdbs(out_path, metals, *input_paths, hetero_pdb=False)[source]

Combine multiple sphere PDB files into a single cluster PDB.

Concatenates the contents of multiple PDB files (typically the numbered sphere files 0.pdb, 1.pdb, etc.) while ensuring only one END record appears at the end.

Parameters:

  • out_path (str) – Path to the output combined PDB file.

  • metals (CenterResidue) – Center residue definition (currently unused but kept for API).

  • *input_paths (str) – Paths to input PDB files to concatenate.

  • hetero_pdb (bool, optional) – If True, include HETATM records (default False, currently unused).