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Hello Arun--
>
> I have got the dipolar coupling data for proteinG in *.tbl file provided by
> XPLOR-NIH package. Could anyone please let me know the exact expression to
> scale the couplings (NCO, CC and CH) relative to NH coupling. What are the
> exact values for the scaling factor which we multiply with the original
> coupling values (NCO, CC and CH respectively) to scale them relative to NH
> coupling.
there are comments in eginput/gb1_rdc/anneal.py to help with this. The
details and actual values are contained in the module rdcPotTools. Check
out the function scale_toNH in that module. The rdc tables in
eginput/gb1_rdc have already been prescaled, so in that case no
additional scaling is necessary.
There is a separate scaling of energy terms due to differing
experimental error. This is the scale value in the line
rdc.setScale(scale)
in
eginput/gb1_rdc/anneal.py
I hope this helps--
Charles
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