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![[Figure 2]](rr5149fig2mag.jpg)
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Figure 2
Agreement between the Uensemble and UTLS matrices calculated for a single-atom model. RU (averaged over 100 random runs) is shown as a function of the logarithm of the number M of models for different (a) vibration and (b) libration r.m.s.d. values. (c) RU (solid line) and KLUV∊ (dashed line) with ∊ = 10−6 as a function of the vibration r.m.s.d. value d for ensembles composed of 5000 generated models. (d) RU as a function of the vibration r.m.s.d. value d zoomed on the d = 0.0–0.1 rad range and shown for the average (black curve) as well as for three individual runs (in maroon, blue and green) selected from the 100 runs used for averaging. (e) CCUV∊ calculated for several ∊ values (10−2, 10−4, 10−6 and 10−8). (f) KLUV∊ calculated for the same ∊ values and for small d values; the curves for ∊ values of 10−6 and 10−8 are indistinguishable. See the text for details. |
![[Figure 2]](rr5149fig2.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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