awacke1 commited on
Commit
b8cbfe3
·
1 Parent(s): bf77c6c

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +1 -2
app.py CHANGED
@@ -121,12 +121,11 @@ def show(smi, style='stick'):
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  f.write(t.endjs)
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  f.close()
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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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-
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  show(compound_smiles)
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  HtmlFile = open("viz.html", 'r', encoding='utf-8')
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  source_code = HtmlFile.read()
 
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  f.write(t.endjs)
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  f.close()
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+ compound_smiles=st.text_input('SMILES please','CCCCC(=O)NCCCCC(=O)NCCCCCC(=O)[O-]')
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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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  HtmlFile = open("viz.html", 'r', encoding='utf-8')
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  source_code = HtmlFile.read()