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Build Status

This repository uses submodules to track the versions of different repositories.

This is used to build the source tarball for cctbx releases and to test the conda packages from conda-forge and cctbx-nightly.

This repository is not for general use.

Computational Crystallography Toolbox's Projects

cctbx-playground icon cctbx-playground

A playground-copy of the full CCTBX SVN repository. Nobody will mind if you break things here

cctbx.github.io icon cctbx.github.io

The cctbx documentation, autogenerated from source daily via Jenkins at Diamond Light Source

dxtbx icon dxtbx

Diffraction Experiment Toolbox

eigen icon eigen

Copy of eigen from GitLab (The official repository should be used)

latticereplib icon latticereplib

Lattice Representation Library with test codes and programs for investigating spaces for 3-D lattices

ncdist icon ncdist

ncdist is a package of two utilities built on the Niggli-Cone cell distance discussed in [Andrews, L. C., Bernstein, H. J. (2014). "The geometry of Niggli reduction: BGAOL -- embedding Niggli reduction and analysis of boundaries". Journal of applied crystallography, 47(1), 346-359.] which provides a sensitive and reliable metric for the distance between crystallographic unit cells. A shell command line program ncdist is provided as well as a shared library rcpp_ncdist for use of ncdist from R.

python3 icon python3

helper repository on the effort to move cctbx to Python3 land

staged-recipes icon staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

tntbx icon tntbx

Wrapper for TNT 1.2.2 and JAMA 1.2.1

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