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Fix bug with iptm_chain save
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colabfold/batch.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -489,11 +489,11 @@ def callback(result, recycles):
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if k in conf[-1]: scores[k] = np.around(conf[-1][k], 2).item()
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del pae
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del plddt
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json.dump(scores, handle)
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if "chain_iptm" in result:
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scores.update({"chain_iptm": np.around(result["chain_iptm"].astype(float), 4).tolist()})
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scores.update({"ptm_matrix": np.around(result["ptm_matrix"].astype(float), 4).tolist()})
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json.dump(scores, handle)
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del result, unrelaxed_protein
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