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 and hope for the best (I found an old thread 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 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