lcpq-codes/content/crystal-met/_index.md

Crystal MET (Crystal Maker Effective Tool) is a python3 programs, developped during an internship at the LCPQ that helps you building a system using only the informations taken from a CIF file.

Use it with care, always check the output, it may work differently from what you expect.

I’m not responsible of a missuse of the results given, neither am I of any collateral such as your computer bursting into flame or any physical incident that could result of an improper use of this tool.

Dependencies

Crystal MET uses : - Scipy - Numpy

Use

python3 crystal_met.py INPUT_FILE