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Runtime error
Runtime error
Update app.py
Browse files
app.py
CHANGED
@@ -102,7 +102,7 @@ smis = [ 'COc3nc(OCc2ccc(C#N)c(c1ccc(C(=O)O)cc1)c2P(=O)(O)O)ccc3C[NH2+]CC(I)NC(=
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confs = [smi2conf(s) for s in smis]
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st.title('⚛️🧬
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def show(smi, style='stick'):
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mol = Chem.MolFromSmiles(smi)
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mol = Chem.AddHs(mol)
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@@ -132,8 +132,8 @@ HtmlFile = open("viz.html", 'r', encoding='utf-8')
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source_code = HtmlFile.read()
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c1,c2=st.columns(2)
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with c1:
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st.write('Molecule
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with c2:
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components.html(source_code, height = 400,width=400)
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st.
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confs = [smi2conf(s) for s in smis]
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st.title('⚛️🧬Molecule 3D Modeler🧬⚛️')
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def show(smi, style='stick'):
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mol = Chem.MolFromSmiles(smi)
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mol = Chem.AddHs(mol)
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source_code = HtmlFile.read()
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c1,c2=st.columns(2)
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with c1:
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st.write('⚛️🧬Molecule🧬⚛️:')
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with c2:
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components.html(source_code, height = 400,width=400)
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st.write('Info about SMILES: https://archive.epa.gov/med/med_archive_03/web/html/smiles.html')
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