Add chain_iptm as output

ntnn19 · Jul 5, 2024 · ee384b9 · ee384b9
1 parent 1648d23
commit ee384b9
Showing 1 changed file with 4 additions and 0 deletions.
diff --git a/colabfold/batch.py b/colabfold/batch.py
@@ -490,6 +490,10 @@ def callback(result, recycles):
                   del pae
                 del plddt
                 json.dump(scores, handle)
+
+                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()})
 
             del result, unrelaxed_protein