Dear phenix community
I am currently refining a 1.75A structure and wanted to use
the riding hydrogen model in pehnix.refine. From what I found in the manual and
previous discussions on the mailing list and if I understand well, using riding
Hs is advised for every resolution and the way of doing this in phenix.refine is not
Refmac-like but instead I should 1) put Hs using ReadySet, 2) select the
‘riding’ option for Hs and 3) use the PDB containing the H coordinates for
deposition, even though they were not individually refined. In this case their
contribution to scattering is also taken into account (which makes sense),
which is a different way of treating riding Hs compared to Refmac, if I
understand well.
Would it be possible to comment on this and in case I got things
wrong, correct?
In fact for my structure, after adding the Hs prior to refinement using ReadySet and using the
riding option, I actually got Rfree dropping by 1% (from 19.5 to 18.5) and better clash score (~0.5 according to Molprobity).
Thanks in advance
best
Filip