EricBoi commited on
Commit
13967af
·
1 Parent(s): e65baf8
Files changed (1) hide show
  1. app.py +4 -1
app.py CHANGED
@@ -57,8 +57,11 @@ surface = get_grid_points(coordinates)
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  for i, atom in enumerate(smiles_mol.GetAtoms()):
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  # For each atom, set the property "molAtomMapNumber" to a custom number, let's say, the index of the atom in the molecule
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  atom.SetProp("atomNote", str(atom.GetIdx()))
 
 
 
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  # display molecule
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- st.image(smiles_mol)
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  # Disable future warnings.
 
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  for i, atom in enumerate(smiles_mol.GetAtoms()):
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  # For each atom, set the property "molAtomMapNumber" to a custom number, let's say, the index of the atom in the molecule
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  atom.SetProp("atomNote", str(atom.GetIdx()))
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+
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+ smiles_image = Chem.Draw.MolToImage(smiles_mol)
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+
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  # display molecule
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+ st.image(smiles_image)
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  # Disable future warnings.