Goo afternoon, I´m interested in refining the "flexible" (not seen in the density) parts of an x-ray structure using saxs data. I´ve attached the script below. The models are getting good chi2 scores, but the overall score is always positive. I´ve restrained the dihedrals to the secondary structure elements, from the original structure. I´ve also used the Rg from the experimental data. I´m a recent user of xplor. Looking at the tutorials i´ve made my script, joining what seemed the most reasonable modules. Could you give some advice in why the scores are positive or if i should change anything in the script?
https://dl.dropboxusercontent.com/u/2464095/sample_xpmor_scriptMaker_with_dihedralVg.py Thank you for your time, Tiago
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