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Runtime error
Runtime error
Update inference_app.py
Browse files- inference_app.py +3 -2
inference_app.py
CHANGED
@@ -155,8 +155,9 @@ def predict (input_sequence, input_ligand, input_protein):
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[10,10,10],
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)
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os.system("pdb_rplresname -UNL:LIG /usr/src/app/docking_pose.pdb > /usr/src/app/docking_pose_renamed.pdb")
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os.system("cat /usr/src/app/docking_pose_renamed.pdb")
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-
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end_time = time.time()
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run_time = end_time - start_time
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return "/usr/src/app/output.pdb", run_time
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[10,10,10],
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)
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os.system("pdb_rplresname -UNL:LIG /usr/src/app/docking_pose.pdb > /usr/src/app/docking_pose_renamed.pdb")
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os.system("cat {input_protein.name} /usr/src/app/docking_pose_renamed.pdb > /usr/src/app/output.pdb")
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+
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#os.system(f"pdb_merge {input_protein.name} /usr/src/app/docking_pose_renamed.pdb > /usr/src/app/output.pdb")
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end_time = time.time()
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run_time = end_time - start_time
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return "/usr/src/app/output.pdb", run_time
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