Software Development

Software for analysis and modelling of small-angle scattering data of biological molecules and dispersions of nanocrystals has been developed in the group. All programs are open source, and the links to major programs can be found below.

Most programs can be found at our github repository:
https://github.com/Niels-Bohr-Institute-XNS-StructBiophys

If you use the software in your work, please cite the relevant publications.

  • WillItFit - An analysis tool for refining structural models from small-angle scattering data.
  • BayesFit - An analysis tool using a Bayesian method to analyze the structure of macromolecules from small-angle scattering data.
  • CaPP - A tool that can calculate the pair distance distribution function (PDDF) p(r) from a given PDB structure and add dummy water molecules (hydration layer).
  • XNDiff - A software to analyze small-angle X-ray and neutron scattering patterns of nanocrystal dispersions.