Dear Charles,
Thank you very much for the previous instructions. The scripts are now working
quite well.
Here is another question. The example scripts are written to calculate
structure with EDTA-Mn labels, so which parameters should be adjusted and where
to find them? For example, if the R2(app) for a residue is 2Hz, the distance
between spin label and the HN should be ~30A for Mn2+, and ~23A for MTSL. I
went through the script a few times and still have not found the parameters
related.
Best wishes,
Yi Zhang
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