• Hbond Graph set analysis

    I am currently investigating a method to calculate hydrogen bond graph sets for structures not in the database, I know it is intuitive to do this in Mercury, but not quite intuitive to do this in the Python API. I have tried to utilize 'Crystal API' to expand an 'hbond_network' and do graph set search on that, but this would result in many duplicates with different labels. I am wondering if anyone could help me with this?