Installation

MDTraj

Before installing BitClust, please be sure that mdtraj is available in your system. It is recommended that you install mdtraj using conda.

$ conda install -c conda-forge mdtraj

conda is an open source package management system and environment management system that runs on Windows, macOS and Linux. Conda quickly installs, runs and updates packages and their dependencies.

You can install mdtraj with pip, if you prefer.

$ pip install mdtraj

pip is the package installer for Python. You can use pip to install packages from the Python Package Index and other indexes.

Any of them will install mdtraj along with all dependencies from a pre-compiled binary. If you don’t have Python or the conda package manager, you can start with the Anaconda Scientific Python distribution. pip homepage is available here

BitClust

Via pip:

After succesful installation of mdtraj you can easily proceed to install BitClust and the rest of its dependencies using pip.

$ pip install bitclust

Then, you should be able to see BitClust help by typing in a console:

$ bitclust -h

Via GitHub:

After succesful installation of mdtraj you can easily proceed to install BitClust and the rest of its dependencies from GitHub.

$ git clone https://github.com/rglez/bitclust
$ cd bitclust
$ python setup.py install