InstallationΒΆ

pyANCA Package

using pip

pip install pyanca

using git

git clone https://github.com/ChakraLabPitt/pyanca

Then go into  the pyanca folder and run
python setup.py install

Note

pyanca has been tested on Linux (Ubuntu, RHEL 7.0) and Mac OSX systems. The code is undergoing continuous development and certain components of the Python software is accelerated using C.

If you face any issues with the dependencies after installing pyanca try installing it separately using the following commands

Dependencies

numpy and scipy stack

pip install scipy

MDAnalysis

conda config --add channels MDAnalysis
conda install mdanalysis

mdtraj

conda install -c omnia mdtraj

MSM Builder

conda install -c omnia msmbuilder

pyEMMA

conda config --add channels conda-forge
conda install pyemma