How to install

All of the Reciprocal Space Station packages are pip-installable, e.g.:

pip install reciprocalspaceship

We recommend that you use a package manager such as conda and always install into a fresh environment, e.g.:

conda create -n my-new-careless-environment
conda activate my-new-careless-environment
pip install careless

Development builds

If you’re looking for a version of the software that’s newer than the latest version published to PyPI, you can alternatively install directly from source:

pip install git+https://github.com/rs-station/rs-booster.git

or if you want to develop yourself and use your own custom version, you can clone the source code:

git clone https://github.com/rs-station/rs-booster.git
cd rs-booster
pip install -e .

Companion software

The pure-python dependencies of RSS packages (numpy, pandas, gemmi, etc.) will be downloaded automatically when you use pip. However, some functionality (e.g. rs.scaleit from rs-booster) is just a wrapper around other software (in this case, CCP4) which does need to be installed separately. Hopefully, some day soon, software such as CCP4 and phenix will follow the lead of dials, gemmi, cctbx, and more and become pip/conda-installable!