Software
Laue Data Processing
- Precognition (documentation)
- CrystFEL (for installing version 0.9.1 with pinkIndexer contact BioCARS staff)
- Careless (for merging of crystallographic data, including Laue data)
- Laue-DIALS (an extension to the DIALS program for indexing and geometry refinement of Laue data; this development is in progress – currently works with single crystal Laue data only)
Solution Scattering
- ATSAS (http://www.embl-hamburg.de/biosaxs/software.html)
- Program suite for small-angle scattering data analysis from biological macromolecules. Freely available.
- Nika (https://usaxs.xray.aps.anl.gov/staff/ilavsky/nika.html)
- Program suite that can reduce area detector data into 1D “lineouts” for SAXS or WAXS. Freely available but requires the commercial package Igor Pro.
- SAXS21D
- Python based GUI developed at BioCARS to reduce time-resolved 2D area detector images into 1D data.
- ReactLab Kinetics | Jplus ReactLab (https://jplusconsulting.com/products/reactlab-kinetics/)
- For molecular dynamics simulation software links please check Educational Resources: Solution Scattering
Computing Contacts
Robert Henning
Research Beamline Scientist
(630) 252-0446
henning@cars.uchicago.edu