Hello,
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?
Does anyone have other example scripts from which I can learn how to implement SAXS restraints together with XL restraints?
Best, Georg
On 5/30/16 9:47 AM, Georg Kempf wrote: > 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?
What's the actual error message? This looks like you just quoted the first line of the traceback, which just shows where in your script it crashed, not what the error is.
Ben
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Ben Webb -
Georg Kempf