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Update inference_app.py
Browse files- 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,
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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)
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