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Sequential fit - Purpose

Your email adress - More info....

Job title - More info....

  • PDB or PQR files (mandatory)
    More info....

  • Model1.pdb

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

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

    All set?


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

  • Unit of q (in the experimental profile)

  • Bulk solvent electronic density:

  • 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.

  • Do you provide your own solvent map?
    More info....

  • Only read a subset of chains? - More info....

  • User-defined residue type file? - More info....

  • User-defined atom type file? - More info....


      Once your job has finished, you will be redirected to the result's page.
      A set of 10 models were generated along one normal mode, starting from a structure of Adenylate Kinase.
      A synthetic profile was generated for the 5th model.
      This profile was used as a pseudo-experimental profile for fitting sequentially the other models.
      The "good" model (#5) was recognized with both methods: see here for details.
      These are the result's pages 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.dynstr.pasteur.fr
    Page last modified 17:23 September 04, 2013.