simonduerr commited on
Commit
0f43758
·
verified ·
1 Parent(s): 76e14fa

Update inference_app.py

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Files changed (1) hide show
  1. inference_app.py +2 -2
inference_app.py CHANGED
@@ -154,8 +154,8 @@ def predict (input_sequence, input_ligand, input_protein):
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  pocket_center,
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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.pdb")
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- os.system(f"pdb_merge {input_protein.name} /usr/src/app/docking_pose.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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  pocket_center,
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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(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