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Figure 1
Residual plot comparing a harmonic potential with the `top-out' function used for reference-model torsion restraints. For this example, l = 15.0° and σ = 1.0, which correspond to the default values in phenix.refine. The `top-out' potential, shown in blue, is smoothly limited to a residual value of 225, which is equal to the value of the harmonic potential at Δ = 15.0°.

Journal logoSTRUCTURAL
ISSN: 2059-7983
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