Smile2Mol / app.py
Tieu Long Phan
remove debug
33ca779
from rdkit import Chem
from rdkit.Chem import Draw
from flask import Flask, request, jsonify
app = Flask(__name__)
@app.route('/convert', methods=['POST'])
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)