On Wednesday 01 August 2007 15:34, Arun Prasad wrote:
> 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.
I'm working on the same thing at the moment. In refine.py from the gb1_rdc
folder there comes this loop with integrated scaling factors. Maybe this is
what you're searching for.
for (medium,expt,file, scale) in \
[('t','NH' ,'tmv107_nh.tbl' ,1),
('t','NCO','tmv107_nc.tbl' ,.05),
('t','HNC','tmv107_hnc.tbl' ,.108),
('b','NH' ,'bicelles_new_nh.tbl' ,1),
('b','NCO','bicelles_new_nc.tbl' ,.05),
('b','HNC','bicelles_new_hnc.tbl',.108)
]:
rdc = create_RDCPot("%s_%s"%(medium,expt),file,media[medium])
best regards
Marco
--
Dipl. Chem. Marco R?ben
Leibniz-Institut f?r Molekulare Pharmakologie Berlin (FMP)
Abt.: NMR-unterst?tzte Strukturforschung
Robert-R?ssle-Str. 10
D-13125 Berlin
Tel: 030-94793224
Fax: 030-94793169
mail: roeben at fmp-berlin.de
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