Dear Xplor users,
I would like to ask how are the RDCs are treated during the "scaling" in
Xplor.
If my RDCs values are already normalized to NH rdcs, should I use a
scaling factor of "1" as shown below, or is it something else that i
should have?
thank you!
Leonidas
from rdcPotTools import create_RDCPot, scale_toNH
rdcs = PotList('rdc')
for (medium,expt,file, scale) in \
[('l','NH' ,'RDC_hn.tab' ,1),
('l','NCO','RDC_nc.tab' ,1)
]:
rdc = create_RDCPot("%s_%s"%(medium,expt),file,media[medium])
#3) Da rescaling factor (separate multiplicative factor)
# scale *= ( 1. / rdc.oTensor.Da(0) )**2
rdc.setScale(scale)
rdc.setShowAllRestraints(1) #all restraints are printed during analysis
rdc.setThreshold(1.5) # in Hz
rdcs.append(rdc)
pass
potList.append(rdcs)
rampedParams.append( MultRamp(0.05,5.0, "rdcs.setScale( VALUE )") )
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