Ninjani commited on
Commit
9c8b0dc
·
1 Parent(s): ec3278a
Files changed (1) hide show
  1. inference_app.py +3 -2
inference_app.py CHANGED
@@ -39,8 +39,9 @@ def vina(
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  for i in range(max_num_poses):
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  sdf_file = MOLFile()
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  sdf_file.set_structure(docked_ligand[i])
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- sdf_file.write(output_folder / f"docked_ligand_{i}.sdf")
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- output_files.append(sdf_file)
 
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  return output_files
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  for i in range(max_num_poses):
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  sdf_file = MOLFile()
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  sdf_file.set_structure(docked_ligand[i])
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+ output_file = output_folder / f"docked_ligand_{i}.sdf"
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+ sdf_file.write(output_file)
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+ output_files.append(output_file)
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  return output_files
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