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This was confirmed by computing the rmsd and the radius of gyration of the final structure.
The center points of these hard spheres were compared to the cluster center positions by computing the RMSD values of nearest point correspondences, revealing the packing model and sphere diameter that best matched the data.
The matrix was constructed by computing the RMSD between all heavy atoms across frames after discarding some of the initial unfolded state frames and aligning all the frames (by appropriate rotations and translations).
We then compared the structural stability of the whole domain as well as the local region where Ser is located (aa 601 614) in the native and modified PTB2 models by computing the RMSD of the Cα atoms from their initial positions.
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Therefore computing the rmsd for AFP i, j, l) for all values of l's (for a given i and j ) requires only O(n) time.
The main idea to incrementally compute the rmsd is to simplify the rmsd formula.
Firstly, the need to compute the RMS of the samples every 0.4 s would consume a lot of energy over time.
We compute the ratio of RMS stretching to RMS advection St/Ad as well as the ratio of RMS poloidal flow to RMS toroidal flow ({mathcal {P}}/{mathcal {T}}).
We compute the root-mean-square (RMS) power of the coefficients, RMS ℓ (U), and RMS power of the coefficient standard deviations following Kaula [ 1966]: 3 The RMS power for the GRAIL gravity solutions GRGM660PRIM and GRGM900C are shown in Figure 1.
However, by observing that the rmsd of the AFP (i, j, l + 1) can be computed incrementally from the rmsd of AFP (i, j, l) in constant time, the set of aligned fragment pairs (AFPs) can be obtained in O(n) time complexity [ 11].
By first computing the evolutionary present.
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