rdc_fit.m

Linear least squares fitter for residual dipolar couplings. Isotope pairs are arbitrary; multiple isotope pairs may be supplied at the same time.

Syntax

    S=rdc_fit(isotopes,xyz,rdc)

Parameters

  isotopes - N x 2 cell array of strings with Spinach 
             isotope specifications, e.g. '13C'

  xyz      - N x 2 cell array of 3-element vectors
             with Cartesian coordinates in Angstrom

  rdc      - N x 1 vector with residual dipolar coup-
             lings in Hz

Outputs

  S        - Saupe order matrix, a symmetric real
             dimensionless 3x3 matrix

See also

xyz2rdc.m, Built-in_experiments, Spin_system_specification

Version 2.7, authors: Ilya Kuprov