<div dir="ltr"><div><div><div>Dear Gromacs Developers,<br><br></div>I have just started
looking into the option for calculating SAXS profile for a protein
using gromacs. I found in sfactor.c , for calculating the structure
factor spherical averaging in not implemented. Where as in nsfactor.c, I
guess it is implemented. Could you please let me know the reason for
implementing different approach for SAXS and SANS calculation. I think
in SAXS calculation also spherical averaging might be needed to match
the calculated profile with experiments. If not spherical averaged I
found orientation of protein has effect on the profile. Any
clarification on this query is greatly appreciated.<br>
<br></div>Thanks in Advance.<br></div>Best regards</div>