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from rdkit import Chem | |
from rdkit.Chem import Draw | |
from flask import Flask, request, jsonify | |
app = Flask(__name__) | |
def convert_smiles(): | |
data = request.json | |
smiles = data['smiles'] | |
mol = Chem.MolFromSmiles(smiles) | |
img = Draw.MolToImage(mol) | |
img.save('molecule.png') | |
# Add PyMol code for 3D structure | |
return jsonify({"message": "Conversion complete"}) | |
if __name__ == '__main__': | |
app.run(debug=False) | |