[phenixbb] Question about occupancy refinement of riding hydrogens

Schubert, Carsten [PRDUS] CSCHUBER at prdus.jnj.com
Tue Mar 4 11:26:01 PST 2008

I just noticed that occupancies of riding hydrogens are being refined by default, in fact I am unable to turn this feature off (CCI-APPs from Jan-8).  I was just (very naively) wondering what is the rationale behind this? The B-factor refinement for riding hydrogens is already enabled and should take care of this or not?  It looks a bit odd to have hydrogens with occupancy 0.9 sitting on a carbon with occupancy 1.0 at 2.0 A resolution.



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