Get standard amino acid features.
()
| 1448 | |
| 1449 | |
| 1450 | def get_standard_aa_features(): |
| 1451 | """Get standard amino acid features.""" |
| 1452 | standard_pdb_filepath = os.path.join( |
| 1453 | Path(__file__).parent.parent.absolute(), |
| 1454 | "data", |
| 1455 | "components", |
| 1456 | "chemical", |
| 1457 | "20AA_template_peptide.pdb", |
| 1458 | ) |
| 1459 | standard_aa_template_protein = pdb_filepath_to_protein(standard_pdb_filepath) |
| 1460 | standard_aa_template_featset = process_protein(standard_aa_template_protein) |
| 1461 | standard_aa_graph_featset = [ |
| 1462 | process_mol_file( |
| 1463 | os.path.join( |
| 1464 | Path(__file__).parent.parent.absolute(), |
| 1465 | "data", |
| 1466 | "components", |
| 1467 | "chemical", |
| 1468 | f"{af_restype_1to3[aa_code]}.pdb", |
| 1469 | ), |
| 1470 | sanitize=True, |
| 1471 | pair_feats=True, |
| 1472 | ) |
| 1473 | for aa_code in af_restypes |
| 1474 | ] |
| 1475 | return standard_aa_template_featset, standard_aa_graph_featset |
| 1476 | |
| 1477 | |
| 1478 | def erase_holo_coordinates( |
no test coverage detected