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

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screen19

PyPI release Build status Supported Python versions Code style: black Language grade: Python Total alerts

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 [email protected]:xia2/screen19.git
libtbx.pip install -e screen19

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

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

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  • Python 96.5%
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