[Chimera-users] on calculating theoretical SAXS scattering profile and fitting to data

Tom Goddard goddard at sonic.net
Tue Oct 19 11:06:01 PDT 2010

  Hi Alex,

   Yes, we need an option to choose 1/nm or 1/Angstrom for q units of 
the experimental SAXS profile.  I'll ask YZ who works on the Chimera 
SAXS dialog if he can add that.


> Hi Tom
> I think I found the problem: units in my data are reverse nm, whereas
> by default angstroms are taken. It would be nice to have "choose 
> units" in
> options.
> Alex
>>   Not sure why your test of the Chimera SAXS profile calculation did 
>> not work well for lyzosome.  I've attached two images using Chimera 
>> daily build 31662 (Oct 17) where it worked fine for lyzosome with the 
>> experimental profile I have.  Maybe the minimum q = 0.2 is related to 
>> your experimental profile not having small q values?  YZ in our lab 
>> works on the Chimera SAXS tool and could give a better answer.
>>     Tom
> ----------------------------------------------------------------------
> Alexander Shkumatov, predoc -- Biological Small Angle Scattering Group
> EMBL Hamburg Outstation c/o DESY -- Building 25A
> Notkestraße 85 -- 22603 Hamburg -- Germany
> ----------------------------------------------------------------------

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