Software


Crystallographic software available on the beamline computers

XDS

Is available for download from the XDS project page at the MPI for Medical Research, Heidelberg.

XDS is available on all beamline computers at 8.3.1 but we recommend that you run your XDS jobs on octamus1 which can be accessed via ssh from the gateway. We have recently configured a queueing system on octamus1 so you should be able to launch your jobs from any beamline computer and they will be actually run on octamus1 … I think.

XDS Documentation

XDS Benchmarks

CCP4

Is available for download from CCP4

All CCP4 programs are available on all beamline computers.

CCP4 Documentation

DIALS

Is available for download from the DIALS webpage or from GitHub.

autoPROC

Requires a license so probably better to just use the version we have installed. It should work on any beamline computer, but keep in mind that it is using XDS and CCP4 under teh hood so should be run on computers other than teh gateway.

autoPROC Documentation

Xia2

Is now distributed with DIALS.

Xia2 Documentation


Our projects hosted on GitHub and GitLab

Beamline 8.3.1 GitHub organization.
Beamline 8.3.1 GitLab server for internal projects.