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CRYSTAL MET
Crystal MET (Crystal Maker Effective Tool) is a python programs that helps you building a (huge) system using only the informations taken from a CIF file.
This program needs a few python packages:
numpy scipy
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.
Might be a little slow if you try huge systems but it will never be stuck in a loop
Feel free to use, modify it :)
If you detect any bug please send me an e-mail and I’ll try to fix it
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 :
