CrystGen

Example:

• Perturb and scale structures

python main.py disturb -i example/Antipyrin_912076.cif -p 0.05 -s 0.1 -t 0.05 -n 10

• Rotate molecules

python main.py rotate -i example/Antipyrin_912076.cif -a 10 -n 2 -r 0 0 1

• Supercell

python main.py supercell -i example/Antipyrin_912076.cif -l 2 2 2 

or

python main.py supercell -i example/Antipyrin_912076.cif -s 2

• Discorder unraveller

python main.py disorder -i example/PAP-H5.cif -o pap-h5