Metadata-Version: 1.1
Name: screen19
Version: 0.210
Summary: Screening program for small-molecule single-crystal X-ray diffraction data
Home-page: https://github.com/xia2/screen19
Author: Diamond Light Source
Author-email: scientificsoftware@diamond.ac.uk
License: BSD license
Description: ========
        screen19
        ========
        
        .. image:: https://img.shields.io/pypi/v/screen19.svg
                :target: https://pypi.python.org/pypi/screen19
                :alt: PyPI release
        
        .. image:: https://travis-ci.com/xia2/screen19.svg?branch=master
                :target: https://travis-ci.com/xia2/screen19
                :alt: Build status
        
        .. image:: https://img.shields.io/pypi/pyversions/screen19.svg
                :target: https://pypi.org/project/screen19
                :alt: Supported Python versions
        
        .. image:: https://img.shields.io/badge/code%20style-black-000000.svg
                :target: https://github.com/ambv/black
                :alt: Code style: black
        
        .. image:: https://img.shields.io/lgtm/grade/python/g/xia2/screen19.svg?logo=lgtm&logoWidth=18
                :target: https://lgtm.com/projects/g/xia2/screen19/context:python
                :alt: Language grade: Python
        
        .. image:: https://img.shields.io/lgtm/alerts/g/xia2/screen19.svg?logo=lgtm&logoWidth=18
                :target: https://lgtm.com/projects/g/xia2/screen19/alerts/
                :alt: Total alerts
        
        Screening program for small-molecule single-crystal X-ray diffraction data
        
        You need to have a Python environment containing DIALS to use it. You can then install it with::
        
            libtbx.pip install screen19
        
        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.
        
        
        
        =========
        Changelog
        =========
        
        
        screen19 0.210 (2020-06-26)
        ===========================
        
        Bugfixes
        --------
        
        - Add missing files to source release
        
        screen19 0.209 (2020-06-25)
        ===========================
        
        Bugfixes
        --------
        
        - Some overly verbose log messages from the French-Wilson calculation are now suppressed by default.
          You can still see them, if you want to, by running screen19 in debug mode with::
        
              screen19 verbosity=1 <other arguments>
        
          (#30)
        
        
        screen19 0.208 (2020-06-25)
        ===========================
        
        Features
        --------
        
        - screen19 now supports DIALS 3 and DIALS 2.2.
        
          `DIALS is available here <https://dials.github.io/installation.html>`_.
        
          * DIALS 3 is the latest major release and is actively supported.  It is currently Python 3.6 only.
          * DIALS 2.2 is a long-term support release.  It only receives bug fixes and support will be withdrawn at the end of 2020.  It supports Python 2.7 and 3.6.
          * DIALS 1.14 is no longer under active development and screen19 support for it has been withdrawn. (#25)
        
        
        Bugfixes
        --------
        
        - Perform French-Wilson scaling on the integrated intensities before performing the Wilson plot analysis.
          This fixes screen19 failures for certain cases where the data consist of few reflections. (#29)
        
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
