Hi all!
First of all I would just like to say that I'm a very happy modeller user and that things have been running pretty smoothly:)
We have obtained recently some SAXS data for a specific protein (that we hope is a monomer in solution). I have already built several models of this protein, but now I would like to refine it using SAXS data.
As far as I know I have three options:
- Use the SAXS modeller class https://salilab.org/modeller/manual/node426.html and hope for the best (I found an old thread https://salilab.org/archives/modeller_usage/2011/msg00330.html stating that it's no longer supported). - Use FoXS to screen models after I have generated them using modeller - Switch to IMP (I could only find one example http://integrativemodeling.org/keystone2015/IMP_SAXS.pdf of the IMP python interface) and add the restraints in IMP.
Any comments and suggestions are welcome. in particular I'd like to know: how/if restraints be added in modeller based on SAXS data? And if it really is a very bad idea to use this unsupported functionality?
Thank you & best regards, Ajasja Ljubetič, National Institute of Chemistry, Slovenia