Spaces:
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):
|
|
| 155 |
[10,10,10],
|
| 156 |
)
|
| 157 |
os.system("pdb_rplresname -UNL:LIG /usr/src/app/docking_pose.pdb > /usr/src/app/docking_pose_renamed.pdb")
|
| 158 |
-
os.system("cat /usr/src/app/docking_pose_renamed.pdb")
|
| 159 |
-
|
|
|
|
| 160 |
end_time = time.time()
|
| 161 |
run_time = end_time - start_time
|
| 162 |
return "/usr/src/app/output.pdb", run_time
|
|
|
|
| 155 |
[10,10,10],
|
| 156 |
)
|
| 157 |
os.system("pdb_rplresname -UNL:LIG /usr/src/app/docking_pose.pdb > /usr/src/app/docking_pose_renamed.pdb")
|
| 158 |
+
os.system("cat {input_protein.name} /usr/src/app/docking_pose_renamed.pdb > /usr/src/app/output.pdb")
|
| 159 |
+
|
| 160 |
+
#os.system(f"pdb_merge {input_protein.name} /usr/src/app/docking_pose_renamed.pdb > /usr/src/app/output.pdb")
|
| 161 |
end_time = time.time()
|
| 162 |
run_time = end_time - start_time
|
| 163 |
return "/usr/src/app/output.pdb", run_time
|