I am trying to combine crosslink restraints with SAXS data. I used an example script to generate a script that does the sampling with XL restraints and now I want to extend the script to test the models against the SAXS data by adding restraints e.g. radius of gyration, chi^2 value etc. I tried to use an example file but it does not really work after editing. My current problem is that I cannot load my SAXS data. I tried to use this function but it returns an error message:
exp_profile = IMP.saxs.Profile.read_SAXS_file(datadirectory+'saxs.dat'))
Does anyone know what's wrong here?Â
Does anyone have other example scripts from which I can learn how to implement SAXS restraints together with XL restraints?
Best,
Georg