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

Leonarski, F.; Wang, M.

doi:10.64898/2026.10.24.761522

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bioRxiv · 10.64898/2026.10.24.761522

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

Leonarski, F.·Wang, M.

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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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Leonarski, F., Wang, M.. 2026-10-29. Rugnux: from diffraction images to structure at synchrotrons and XFELs in one program. https://doi.org/10.64898/2026.10.24.761522

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