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Compute SAXS profile

Your email adress - More info....

Job title - More info....

  • PDB or PQR file (mandatory) - More info....
    -Example PQR file-


  • Which solvation method do you want to use? - More info....



  • Perform fit to experimental data? - More info....
    -Example file-


    Nota bene : if you do not provide SAXS experimental data, the two parameters C1 and C2 will obviously not be refined against it. You can set their values, if desired, in the 'Options' fields below. By default, these two parameters are set to a value of 1.

    All set?



    Options

  • Max. q value / q step (Å-1) - More info....
        

  • Unit of q (in the experimental profile)
              

  • Bulk solvent electronic density:
      (e.Å-3)

  • User-defined weight for the excluded volume
    (C1 parameter, see here for explanations)

      The default value is 1.

  • User-defined weight for the hydration shell
    (C2 parameter, see here for explanations)

      The default value is 1
      (for Foxs -Sali lab- it would be 0, i.e. no solvation at all).

    N.B. C1 and C2 are fixed unless SAXS experimental data is provided, in which case they are automatically refined.

    Output

      Once your job has finished, you will be redirected to the result's page.
      An example is available here.
      This is the result's page you would get with the example files proposed above.


    More informations on how to use AquaSAXS and the meaning of the above mentioned options can be found on the Flowchart page.



  •   Marc Delarue http://lorentz.immstr.pasteur.fr
    Page last modified 16:17 November 12, 2013.