BioCatHub Mol Structure

Microservice that converts SMILES codes to structure SVGs.

Installation

• Install open babel 3: https://openbabel.org/wiki/Category:Installation
• Install pipfile pipenv install

Running the server

• python3 main.py

Access a structure SVG

• Call /<YOUR SMILES CODE>
• Examples:
  • http://127.0.0.1:5000/C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
  • http://127.0.0.1:5000/c1ccccc1