xia2 / screen19

Screening program for small-molecule single-crystal X-ray diffraction data
https://pypi.org/project/screen19/
BSD 3-Clause "New" or "Revised" License
2 stars 3 forks source link

screen19


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Screening program for small-molecule single-crystal X-ray diffraction data

Install as a user

To use screen19, you need to have a Python environment containing DIALS. Instructions for installing DIALS can be found here. You can then install screen19 with::

libtbx.pip install screen19

Install as a developer

If you want to develop screen19 then check out a local copy of the repository and install it with::

git clone git@github.com:xia2/screen19.git
libtbx.pip install -e screen19

You then need to rebuild libtbx to get the screen19 dispatcher.

.. _DIALS: https://dials.github.io/ .. _here: https://dials.github.io/installation.html