Installation

To install camparitraj during development run.

pip install .

Dependencies

camparitraj has a number of standard dependencies that we suggest should be installed in the following order.

numpy - core numerical computing algorithms scipy - core scientific computing algorithms pandas - core data structure (required by mdtraj but not always included as a dependency) mdtraj - underlying trajectory reading and representation is done by mdtraj

If installed from source, these are included in the dependency tree defined in setup.py so in principle should not cause any issues.