diff --git a/colabfold/batch.py b/colabfold/batch.py index 49f925e8..00f393ed 100644 --- a/colabfold/batch.py +++ b/colabfold/batch.py @@ -489,6 +489,10 @@ def callback(result, recycles): if k in conf[-1]: scores[k] = np.around(conf[-1][k], 2).item() del pae del plddt + + if "chain_iptm" in result: + scores.update({"chain_iptm": np.around(result["chain_iptm"].astype(float), 4).tolist()}) + scores.update({"ptm_matrix": np.around(result["ptm_matrix"].astype(float), 4).tolist()}) json.dump(scores, handle) del result, unrelaxed_protein