Palaios, G.A. and Hamodrakas, S.J.
Department of Cell Biology and Biophysics,
Faculty of Biology, University of Athens
Panepistimiopolis, Athens 15701, Greece
LSQR was developed to optimise by a least squares method the fit of a subset of atomic coordinates
from one file (assigned to workcd) to the same subset of coordinates of another file
(assigned to refrcd). The program can also give the same statistics of fit
(e.g. rms differences between atom pairs,etc) without any transformation of
the working coordinates.