Fascinated by the topology method of mechanical property analysis by M.J.Bryant, after reading the paper - Predicting mechanical properties of crystalline materials through topological analysis (Cryt Engg Comm). Anyone can clarify how would I connect my python terminal to the CSD in order to read the cif file and start the analysis? 

Many thanks!

 

Hello,

In order to run the scripts included in the supplementary information of that paper you will need access to the CSD Python API. You can find details of how to access this here: https://www.ccdc.cam.ac.uk/forum/csd_python_api/General/06004d0d-0bec-e811-a889-005056977c87

 

Please note that you will need a license to the CSD software in order to access this content. If you are unsure of whether or not you have a license, or you need any technical assistance in getting set up, please contact support@ccdc.cam.ac.uk

You must be signed in to post in this forum.