Root mean square deviations in structure#
(459)#
where and is the
position of atom at time . Note that fitting
does not have to use the same atoms as the calculation of the
; e.g. a protein is usually fitted on the backbone atoms
(N, C , C), but the can be computed of the
backbone or of the whole protein.
Instead of comparing the structures to the initial structure at time
Alternatively the
(460)#
where the distance r