Rugnux: from diffraction images to structure at synchrotrons and XFELs in one program
Rising data rates in macromolecular crystallography outpace multi-program pipelines on computing clusters. Rugnux, a single GPU-accelerated program, turns rotation or serial still diffraction images into merged data and an initial structure. At synchrotrons, results arrive seconds after the last image; on one workstation, 207 public datasets from 36 sources took a median of 15 s each, with deposition-quality. Serial XFEL data were processed faster than the collection rate, enabling real-time structure determination.
Authors
- Filip Leonarski (ORCID: https://orcid.org/0000-0002-2563-7169)
- Meitian Wang (ORCID: https://orcid.org/0000-0002-5340-3036)
Institutions
- Paul Scherrer Institute (CH)
Publication Details
- Journal
- bioRxiv (Cold Spring Harbor Laboratory)
- Published
- 2026-10-29
- DOI
- https://doi.org/10.64898/2026.10.24.761522
- Primary Topic
- Enzyme Structure and Function
- Type
- preprint