awacke1 commited on
Commit
85aba23
·
1 Parent(s): 7ba12a8

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +3 -3
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('⚛️🧬Chemistry 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)
@@ -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 :coffee:')
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  with c2:
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  components.html(source_code, height = 400,width=400)
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- st.sidebar.write('Info about SMILES: https://archive.epa.gov/med/med_archive_03/web/html/smiles.html')
 
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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')