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.

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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
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preprint

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

Filip Leonarski, Meitian Wang
bioRxiv (Cold Spring Harbor Laboratory)
Enzyme Structure and Function
preprint

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

Filip Leonarski, Meitian Wang
preprint en

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.

bioRxiv (Cold Spring Harbor Laboratory)
Paul Scherrer Institute (CH)
Enzyme Structure and Function
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