Hi All,
I have a couple of questions about X-ray/neutron joint refinement in phenix.
Is it possible to use the neutron data only for refining hydrogen atom positions and the X-ray data for all other atoms?
I used the option to add
hydrogen atoms to model and refine H/D at exchangable sites and H
elsewhere.
This worked for many of the exchangeable hydrogen atoms. However,
for some side chains, especially Lysine, the program has placed a
hydrogen and deuterium atom (with refined occupancies) in the same
position as the atom it is supposed to be bonded to.
Does anybody know why this is happening and what I may be able
to do about it. Or will I need to manually move each misplaced H/D in
Coot?
