Distance Restraints introduces interproton restraints and their contribution to a combined refinement objective. Choice of Averaging, nmr.cit.nih.gov/xplor-nih/doc/current/xplor/node379.html , eqs.20.1–20.3, distinguishes inverse-sixth-power averages and sums for ambiguities. Square-Well Function, nmr.cit.nih.gov/xplor-nih/doc/current/xplor/node384.html , specifies a flat-bottom penalty. Setup of Distance Restraints, bit.niddk.nih.gov/xplor-nih/doc/current/xplor/node389.html , identifies atom selections and numerical bounds.
Assignment ambiguity is described in nmr.cit.nih.gov/xplor-nih/doc/current/xplor/node380.html , Expressing ambiguous restraints using the optional OR statement, eq.20.5. Explicit ASSIgn ... OR ... pair lists restrict the alternatives to the specified atom pairs and force SUM averaging; the molecular-copy normalization is part of that expression.

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