Hi Dirk,
yes, the apparently larger radius of convergence in real space refinement > impresses me, too. Therefore, I usually do local real space refinement after > manually correcting errors, either with Moloc at lower resolution or with > Coot at higher resolution, prior to reciprocal space refinement. > > If I recall correctly, real space refinement was introduced by Robert > Diamond in the 60s long before reciprocal space refinement. In the 90s > Michael Chapman tried to revive it, but without much success, as far as I > know. With the fast computers today, maybe the time has come again for real > space refinement ... > you are absolutely right - it's time for real-space refinement: http://cci.lbl.gov/~afonine/rsr/rsr.pdf and we don't have to do much and re-invent the wheel here since R.Diamond, M.Chapman, T.Oldfield, R.Read, A.Jones and many others (see link above) have created a great fundament, so all what one need to do now is to mope up the best, re-think and implement using today's technology (again, see above). All the best! Pavel.
