Update app.py

app.py

@@ -3,13 +3,11 @@ from rdkit import Chem
 from rdkit.Chem import AllChem, Draw
 
 def visualize_molecule(mol_smiles):
-    # Create a molecule using SMILES notation
+
     mol = Chem.MolFromSmiles(mol_smiles)
 
-    # Add hydrogen atoms
     mol = Chem.AddHs(mol)
 
-    # Generate 2D coordinates for the molecule
     AllChem.Compute2DCoords(mol)
 
     return mol
@@ -19,18 +17,15 @@ st.title('Molecular Structure Visualization')
 st.write("By Jishnu Setia")
 
 # Input molecule SMILES string
-mol_smiles = st.text_input('Enter molecule SMILES:', 'CCl.O.Br.Cl.C=C.C#C.[Na]Br.[Na]Cl.[Na+].[Br-].c1ccccc1.c1c(O)c(I)c(F)c(Br)c1(Cl)')  # Default: Sodium ion
+mol_smiles = st.text_input('Enter molecule SMILES:', 'CCl.O.Br.Cl.C=C.C#C.[Na]Br.[Na]Cl.[Na+].[Br-].c1ccccc1.c1c(O)c(I)c(F)c(Br)c1(Cl)')
 
-# Visualize the molecule
 if mol_smiles:
     mol = visualize_molecule(mol_smiles)
     img = Draw.MolToImage(mol, size=(700, 400))
     st.image(img)
-    
-    # Add space
     st.write(" ")
     
-    # Instructions for SMILES notation
+    # Instructions for SMILES 
     st.markdown("<h2>SMILES (Simplified Molecular Input Line Entry System)</h2>", unsafe_allow_html=True)
     st.write("SMILES is a string format for representing molecular structures.")
     st.write("You can represent various features using specific characters in SMILES notation:")