OleinikovasV commited on
Commit
0103475
·
verified ·
1 Parent(s): fab2300

Update inference_app.py

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Files changed (1) hide show
  1. inference_app.py +1 -1
inference_app.py CHANGED
@@ -71,7 +71,7 @@ def predict(input_sequence, input_ligand, input_msa, input_protein):
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  mol_coords = mol.GetConformer().GetPositions()
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  # new_coord = [0, 0, 0]
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- new_coord = np.mean(mol_coords, axis=1)
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  output_file = "test_out.pdb"
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  set_protein_to_new_coord(input_protein, new_coord, output_file)
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  mol_coords = mol.GetConformer().GetPositions()
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  # new_coord = [0, 0, 0]
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+ new_coord = np.mean(mol_coords, axis=0) + [6.05, 6.05, 6.05]
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  output_file = "test_out.pdb"
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  set_protein_to_new_coord(input_protein, new_coord, output_file)
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