OleinikovasV commited on
Commit
5b72455
·
verified ·
1 Parent(s): 244f1ce

Update inference_app.py

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Files changed (1) hide show
  1. inference_app.py +1 -1
inference_app.py CHANGED
@@ -108,7 +108,7 @@ def set_protein_to_new_coord_plus_decoy_atom(input_pdb_file, new_coord, decoy_co
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  structure = PDBFile.read(input_pdb_file).get_structure()
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  structure.coord = np.ones_like(structure.coord) * np.array(new_coord)
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  # add decoy
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- structure = add_decoy_atom(structure, decoy_pos)
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  file = PDBFile()
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  file.set_structure(structure)
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  file.write(output_file)
 
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  structure = PDBFile.read(input_pdb_file).get_structure()
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  structure.coord = np.ones_like(structure.coord) * np.array(new_coord)
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  # add decoy
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+ structure = add_decoy_atom(structure, decoy_coord)
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  file = PDBFile()
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  file.set_structure(structure)
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  file.write(output_file)