correc bug string
Browse files
app.py
CHANGED
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@@ -57,7 +57,9 @@ def compute_Chai1(
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(Path(output_dir) / f"{run_id}-scores.model_idx_{ii}.npz").write_bytes(scores)
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(Path(output_dir) / f"{run_id}-preds.model_idx_{ii}.cif").write_text(cif)
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-
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pdb_name = cif_name.split('.cif')[0] + '.pdb'
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st = gemmi.read_structure(cif_name)
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st.write_minimal_pdb(pdb_name)
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(Path(output_dir) / f"{run_id}-scores.model_idx_{ii}.npz").write_bytes(scores)
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(Path(output_dir) / f"{run_id}-preds.model_idx_{ii}.cif").write_text(cif)
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+
print(Path(output_dir) / f"{run_id}-preds.model_idx_{ii}.cif")
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cif_name = output_dir+"/"+str(run_id)+"-preds.model_idx_"+str(ii)+".cif"
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print(cif_name)
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pdb_name = cif_name.split('.cif')[0] + '.pdb'
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st = gemmi.read_structure(cif_name)
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st.write_minimal_pdb(pdb_name)
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