Dear SAXS and crystallography communities,
it is our pleasure to announce a new web server for the calculation and fitting
of SAXS/WAXS curves of biomolecules in solution.
WAXSiS ("WAXS in Solvent") computes SAXS/WAXS curves based on explicit-solvent
all-atom molecular dynamics simulations.
The key differences to established web services are:
* No fitting parameters associated with the solvation shell or excluded solvent
are required.
* Solvation shell and excluded solvent are described at atomic detail, allowing
accurate scattering predictions also at wide angles.
* Thermal fluctuations of solvent and biomolecule are naturally included.
Please find WAXSiS at:
http://waxsis.uni-goettingen.de/
WAXSiS is up and running, and it has passed a few hundred test calculations. We
would be pleased to receive
feed-back, comments, and functionality requests from the SAXS community.
With best wishes,
The WAXSiS team at the University of Göttingen
