Section: New Results

Pepsi-SAXS calculator of small-angle X-ray scattering profiles

Participants : Sergei Grudinin, Maria Garkavenko.

We have continued the development of a new method called Pepsi-SAXS that calculates small angle X-ray scattering profiles from atomistic models [2]. The method is based on the multipole expansion scheme and is significantly faster with a comparable precision than other methods.

Our method has been highlighted in a recent SAXS-related review [49] and was one of the best performers in the recent CASP12 data-assisted protein structure prediction experiment [81].

Pepsi-SAXS is available at http://team.inria.fr/nano-d/software/pepsi-saxs. A SAMSON module will be made available at https://www.samson-connect.net.