rotate-molecule-axis

this program uses tinyQuaternion "https://github.com/rezaahmadzadeh/tinyquaternion"

instalation & usage:

1.- git clone https://github.com/Eduardo-rico/rotate-molecule-axis.git
2.- python3 -m venv virtualenv
3.- source virtualenv/bin/activate
4.- pip install numpy
5.- git clone https://github.com/rezaahmadzadeh/tinyquaternion.git
6.- cp tinyquaternion/tinyquaternion/tinyQuaternion.py .
7.- python3 trans.py your_molecule.xyz degreeX degreeY degreeZ
    =>output will be named "out.xyz" in the current folder.

contact: [email protected]