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

[Yang, Zheng(YZ)]

Alex,

We could add the nm/Angstrom option. Would you please send me your structure file and experimental data so we could test our codes. 

Thanks,
YZ

On Oct 19, 2010, at 11:06 AM, Tom Goddard wrote:

>  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.
> 
>     Tom
> 
>> 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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