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PreprintCC BYbioRxiv

Rugnux: from diffraction images to structure at synchrotrons and XFELs in one program

  • F. Leonarski1
  • M. Wang
  1. 1Paul Scherrer Institut
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Abstract

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.

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Cite

BibTeXRIS
BibTeX
@misc{leonarski2026rugnux,
  title = {{Rugnux: from diffraction images to structure at synchrotrons and XFELs in one program}},
  author = {F. Leonarski and M. Wang},
  howpublished = {bioRxiv},
  year = {2026},
  month = oct,
  doi = {10.64898/2026.10.24.761522},
  url = {https://www.biorxiv.org/content/10.64898/2026.10.24.761522v1},
  note = {CC BY},
}
RIS
TY  - UNPB
TI  - Rugnux: from diffraction images to structure at synchrotrons and XFELs in one program
AU  - F. Leonarski
AU  - M. Wang
PY  - 2026
DA  - 2026/10/24
PB  - bioRxiv
DO  - 10.64898/2026.10.24.761522
UR  - https://www.biorxiv.org/content/10.64898/2026.10.24.761522v1
AB  - 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.
ER  -