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Figure 3
Comparison plots of model-quality measures versus resolution for Amber (burnt orange) versus CDL/E&H (dark blue) refinements with error bars depicting the 95% confidence level of the standard error of the mean. The MolProbity score is a combination of all-atom clashscore and Ramachandran favored and rotamer outliers, weighted to approximate the expected score at the resolution of the structure. The hydrogen-bond fraction is calculated using cpptraj per 1000 atoms in the model. For all six plots, Amber (burnt orange) differs in the better direction.

Journal logoSTRUCTURAL
ISSN: 2059-7983
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