Figure 8
From: Rapper tk: a versatile engine for discrete restraint-based conformational sampling of macromolecules
Loop closure procedure in Rapper tk. C α ilies on a circle centered at the mid-point of line joining C α i-1and C α i+1. Radius of the circle is determined by length of the line. The circle is in a plane perpendicular to the line. Candidate C α ipositions are sampled on this circle and {r, α, θ} – {ϕ, ψ, ω} mapping (explained earlier in relation to guided sampling) is used to select a position.