kabsch_R: Kabsch Algorithm in R code

In Fraternalilab/DCDencode: Encode DCD trajectory into Structural Alphabet sequences

Description

Aligns two sets of points via rotation and translation after solving the superpositioning problem in an Eigenvalue Ansatz.

Usage

kabsch_R(Q, P)

Arguments

Q	n x d matrix of points to align to to pm
P	n x d matrix of reference points.

Details

Given two sets of points, with one specified as the reference set, the other set will be rotated so that the RMSD between the two is minimized. The format of the matrix is that there should be one row for each of n observations, and the number of columns, d, specifies the dimensionality of the points. The point sets must be of equal size and with the same ordering, i.e. point one of the second matrix is mapped to point one of the reference matrix, point two of the second matrix is mapped to point two of the reference matrix, and so on.

Value

Matrix qm rotated and translated so that the ith point is aligned to the ith point of pm in the least-squares sense.

References

https://en.wikipedia.org/wiki/Kabsch_algorithm

(C) 2019 Jamie Macpherson and Jens Kleinjung

Fraternalilab/DCDencode documentation built on March 17, 2021, 10:12 p.m.