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CRYSTAL MET

Crystal MET (Crystal Maker Effective Tool) is a python3 programs 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

Performances

The calculation increases exponentially as you increase the number of atoms in the system you want. Here are the results of some tests I made :

graph1 graph2

## Contact

If you find any bug or have any question, please let me know :