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Runtime error
Runtime error
Update app.py
Browse files
app.py
CHANGED
@@ -74,7 +74,6 @@ def smi2viewer(smi='CC=O'):
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except:
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return None
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-
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smi = 'COc3nc(OCc2ccc(C#N)c(c1ccc(C(=O)O)cc1)c2P(=O)(O)O)ccc3C[NH2+]CC(I)NC(=O)C(F)(Cl)Br'
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conf = smi2conf(smi)
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viewer = MolTo3DView(conf, size=(600, 300), style='sphere')
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@@ -125,7 +124,7 @@ def show(smi, style='stick'):
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compound_smiles=st.text_input('SMILES please','CC')
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m = Chem.MolFromSmiles(compound_smiles)
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Draw.MolToFile(m,'mol.png')
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show(compound_smiles)
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except:
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return None
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smi = 'COc3nc(OCc2ccc(C#N)c(c1ccc(C(=O)O)cc1)c2P(=O)(O)O)ccc3C[NH2+]CC(I)NC(=O)C(F)(Cl)Br'
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conf = smi2conf(smi)
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viewer = MolTo3DView(conf, size=(600, 300), style='sphere')
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compound_smiles=st.text_input('SMILES please','CC')
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m = Chem.MolFromSmiles(compound_smiles)
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#Draw.MolToFile(m,'mol.png')
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show(compound_smiles)
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