[Xplor-nih] ambiguous NOEs
Srivatsan Raman
srivats447 at gmail.com
Mon Oct 23 14:42:02 EDT 2006
Hi
Could someone point me to the routines in the XPLOR-NIH code that
compute the 1/r-6 averaging for ambiguous distance restraints ?
I am student in Dr David Baker's research group at the Univ of
Washington, Seattle. We are trying to implement the 1/r-6 averaging in
our RosettaNMR structure prediction/refinement algorithm.
It would be very helpful if someone could quickly explain how this is
done in XPLOR-NIH and point me to the relevant sections in the code.
Thanks
Vatsan
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