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Pepsi-SAXS

Publisher: Sergei Grudinin

Updated: August 21, 2019


Latest versions

Windows: 0.8.2 on SAMSON 0.8.4

Linux: 0.8.2 on SAMSON 0.8.4

Mac: 0.8.2 on SAMSON 0.8.4

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Pepsi-SAXS

Publisher: Sergei Grudinin

Updated: August 21, 2019


Latest versions:

- Windows: 0.8.2 on SAMSON 0.8.4

- Linux: 0.8.2 on SAMSON 0.8.4

- Mac: 0.8.2 on SAMSON 0.8.4

Rapidly compute small-angle X-ray scattering profiles.

This Element provides a GUI for the Pepsi-SAXS module that rapidly computes small-angle X-ray scattering profiles.

Pepsi-SAXS (PEPSI stands for Polynomial Expansions of Protein Structures and Interactions) is new implementation of the multipole-based scheme initially proposed by Stuhrmann (Stuhrmann, 1970). Overall, this method is significantly faster with a similar accuracy compared to Crysol, FoXS, and the 3D-Zernike implementation from the SAStbx package.

Pepsi-SAXS is based on the spherical harmonics expansion method and interactively updates the fits if the molecular structure is modified. Multi-threading is currently only supported for Linux & macOS.

Learn more about the method, benchmarks and preformance on the Pepsi-SAXS web-page.

References

Sergei Grudinin, Maria Garkavenko, Andrei Kazennov. Pepsi-SAXS : an adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles. Acta Cryst., 2017, D73, pp.449 – 464.