Installation¶

Latest release¶

The two following methods (using conda or pip) will both install all dependencies.

Conda packages are made available on conda-forge and can be installed with

conda config --add channels conda-forge
conda install RotamerConvolveMD

Later updates are installed with

conda update RotamerConvolveMD

The PyPi RotamerConvolveMD package can be installed with pip:

pip install --upgrade RotamerConvolveMD

or in a user directory

pip install --upgrade --user RotamerConvolveMD

Clone the GitHub repository and use the master branch (the default):

git clone https://github.com/MDAnalysis/RotamerConvolveMD.git
pip install RotamerConvolveMD/

or with the classic python setup.py method

cd RotamerConvolveMD
python setup.py install

Either form should automatically download required packages:

Note

The package requires at least MDAnalysis 0.16.2.

Please see https://www.mdanalysis.org for hints if you have problems with the automatic installation of MDAnalysis.