Metadata-Version: 2.1
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
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
Requires-Dist: procrunner
Requires-Dist: typing ; python_version < "3.5"

========
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)


