Diffraction Integration for Advanced Light Sources
Fetching latest commit…
Cannot retrieve the latest commit at this time.
Permalink
Failed to load latest commit information.
.travis Enable builds and tests on travis-ci.org May 2, 2018
algorithms Add unit tests for cross validation files Sep 21, 2018
array_family Update flex.reflection_table().help_keys() Aug 14, 2018
command_line Add command line test, unit tests to come next Sep 20, 2018
data More absolute imports, #292 Jan 23, 2017
doc Update scaling tutorial and add to toctree Sep 21, 2018
extensions pickle code review May 14, 2018
installer Add files for source distribution bundle Aug 22, 2018
model pickle code review May 14, 2018
nexus Remaining conversions to absolute imports. Closes #292 Jan 25, 2017
report More absolute imports, #292 Jan 23, 2017
scratch tldr Apr 6, 2018
static add external dependencies for dials.report Mar 4, 2016
templates dendrogram plot style Jul 6, 2018
test Make a reference params scope for reindex - *interface change* Sep 14, 2018
util Allow setting of the crystal name in export_mtz Sep 18, 2018
viewer Make GUI's WX3 compatible again Sep 14, 2018
.codecov.yml Codecov: Don't fail builds for coverage changes Jul 11, 2018
.gitattributes remove dftbx, closes #525 Mar 27, 2018
.gitignore add .pytest_cache to ignore list Feb 26, 2018
.travis.yml increase travis cache timeout Jun 15, 2018
LICENSE Modify the DIALS license so that it is correctly detected as BSD 3-cl… Jan 26, 2018
README.md Update reference link Feb 2, 2018
SConscript Revert "Disable test for now, boost threads library is not built for … Apr 10, 2018
__init__.py fix typo Jul 20, 2018
config.h Changed shoebox type to float Aug 20, 2014
conftest.py Replace much boilerplate with one shortcut fixture Sep 12, 2018
error.h Removed intersection stuff put into detector. Mar 4, 2013
libtbx_config Add xfel as a dials dependency as a temporary fix for stills_process Mar 12, 2016
libtbx_refresh.py Disable banner for command line completion Jul 5, 2018
run_tests.py Run C++ tests from python. Closes #553 May 4, 2018

README.md

DIALS: Diffraction Integration for Advanced Light Sources

X-ray crystallography for structural biology has benefited greatly from a number of advances in recent years including high performance pixel array detectors, new beamlines capable of delivering micron and sub-micron focus and new light sources such as X-FELs. The DIALS project is a collaborative endeavour to develop new diffraction integration software to meet the data analysis requirements presented by these recent advances. There are three end goals: to develop an extensible framework for the development of algorithms to analyse X-ray diffraction data; the implementation of algorithms within this framework and finally a set of user facing tools using these algorithms to allow integration of data from diffraction experiments on synchrotron and free electron sources.

Website

https://dials.github.io

Reference

Winter, G., Waterman, D. G., Parkhurst, J. M., Brewster, A. S., Gildea, R. J., Gerstel, M., Fuentes-Montero, L., Vollmar, M., Michels-Clark, T., Young, I. D., Sauter, N. K. and Evans, G. (2018) Acta Cryst. D74.

Funding

DIALS development at Diamond Light Source is supported by the BioStruct-X EU grant, Diamond Light Source, and CCP4.

DIALS development at Lawrence Berkeley National Laboratory is supported by National Institutes of Health / National Institute of General Medical Sciences grant R01-GM095887. Work at LBNL is performed under Department of Energy contract DE-AC02-05CH11231.