qp.structure.missing.delete_clashes¶

qp.structure.missing.delete_clashes(pdb_path, residues_with_clashes)[source]¶

Delete residues with clashes from a PDB file and rewrite the PDB file.

Parameters:

pdb_path (str) – Path to the PDB file.
residues_with_clashes (set of tuples) – Set of residues with clashes. Each tuple contains (res_id, one_letter_code, chain_index, chain).

Returns:

output_pdb_path – Path to the new PDB file with residues removed.

Return type:

str