Shape2SAS: a web application to simulate small-angle scattering data and pair distance distributions from user-defined shapes.

ABSTRACT: Shape2SAS is a web application that allows researchers and students to build intuition about and understanding of small-angle scattering. It is available at https://somo.chem.utk.edu/shape2sas. The user defines a model of arbitrary shape by combining geometrical subunits, and Shape2SAS then calculates and displays the scattering intensity and the pair distance distribution, as well as a visualization of the user-defined shape. Simulated data with realistic noise are also generated. Here, it is demonstrated how Shape2SAS can calculate and display the different scattering patterns for various geometrical shapes, such as spheres and cylinders. It is also shown how the effect of structure factors can be visualized. Finally, it is indicated how multi-contrast particles can

SUBMITTER: Larsen AH 

PROVIDER: S-EPMC10405587 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature