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Figure 2
Traffic-light diagrams of change in structure model-quality metrics after re-refinement (left column) and after full model optimization (re-refined and rebuilt; right column) for 12 000 structure models. Green bars represent improved structure models and red bars deteriorated models. Models are considered to be the same (yellow bars) if |ΔRfree| ≤ 2σ(Rfree), |ΔZ score| ≤ 0.1 (for Ramachandran plot, rotamers, coarse and fine packing), |Δ(No. of bumps)| ≤ 10 or |Δ(No. of unsatisfied hydrogen-bond donors/acceptors)| ≤ 2.

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ISSN: 2059-7983
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