Hi Charles,
Looking through the refine.py file, I see there are weightings for
different nuclei, which correspond to their associated gamma1*gamma2 values.
If I understand you correctly, I can do something similar by simply
splitting my data based on SNR? For example:
rdcs = PotList('rdc')
for (medium, expt, file, scale) in [('Phage', 'NH_1', 'RDC_High_SNR.tbl',
1), ('Phage', 'NH_2', 'RDC_Low_SNR.tbl', 0.1)]:
rdc = create_RDCPot("%s_%s"%(medium,expt),file, media[medium])
rdc.setScale(scale)
.... etc
If I'd like per residue weighting, could I then create a tbl file each
residue with scaling proportional to (1/uncertainty)? Something like:
for Res, Unc in zipped(Residue_List, Uncertainty_List):
rdc = create_RDCPot("%s_%s"%('Phage', 'NH_{0}'.format(Res)) Res +
'.tbl', media['Phage']
rdc.setScale((1/Unc))
... etc
(Something like this)
I'd consult the references you attached, but sadly my institution does not
access.
Bests,
John
On Fri, Dec 15, 2017 at 3:24 PM, Charles Schwieters <[email protected]>
wrote:
>
> Hi Again--
>
> Sorry. I had that reference completely garbled. Let's try:
>
> C.D. Schwieters, G.A. Bermejo, ``Protein Structure Elucidation from
> NMR Data with the Program Xplor-NIH,'' Methods Mol Biol. 1688,
> 311-340 (2018)
> https://doi.org/10.1007/978-1-4939-7386-6_14
>
> Charles
>
--
*John B. Stiller*
Ph.D. Candidate
Kern Group
Department of Biochemistry
Brandeis University
_______________________________________________
Xplor-nih mailing list
[email protected]
https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
