Anharmonic Conformational Analysis
pyANCA is a python library to measure anharmonicity in Molecular Dynamics simulation data. The idea is to use higher order motion signatures in the simulation data for organizing the conformational landscape into putative conformational substates.
To get started via pip run
pip install pyanca
git clone https://github.com/ChakraLabPitt/pyanca Then go into pyanca folder and run python setup.py install