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Hi--
>
> Could you tell me what the exact meaning of the coefficients in SANI are?
> I am confused about third coefficient which you call "rhombicity". Is this
> "R" which is "Ar/Aa", or "Ar" itself?
>
this should answer your question: The SANI COEFficient statement takes
three arguments:
COEFficient <real> <real> <real>
where the three real values are DFS, anisotropy, rhombicity. Their
meaning becomes clear in the expression for the dipolar coupling shift:
DFS + anisotropy*( (3*cos(theta)^2-1)+
rhombicity*(3/2)*sin(theta)^2*cos(2*phi) )
[note carefully the parentheses.]
I hope this clears things up.
> Would you recommend the protocol that can calculate structures with
> dihedral angle restraints and RDC restraints but without NOEs or very
> limited NOEs?
>
It's my understanding that NOE data is usually necessary.
regards--
Charles
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