Whats the difference between C4-relaxation and C1 in NU or other refinements?
base on the TRPV5 and Symmetry Breaking (Part 3 of 6) - YouTube, I feel like that C4-relaxation is will consider 4 poses and use one best fit to do the later constrcution, but this feels like no difference from c1. is it because it only consider one of 4 poses instead of 360 degrees? so only compute fast?
Thanks @J6H55 for your question. Have you already reviewed the symmetry relaxation tutorial?
I’ll check that, thanks!
In C1 only one pose will be retained until high-res/local search. With relaxation the symmetry-related poses are always retained, so that the best one can be chosen based on high-resolution alignments, or for marginalization.
Oh, so symmetry-relaxation will always contain 4 poses but only use one, while C1 only contain 1 pose.
thanks a lot
Correct, except it’s either the best of the 4 poses (maximization strategy from drop-down menu) or a weighted average over all 4 (marginalization strategy).