<div dir="ltr"><div><div><div><div>Hi All, <br><br></div><div>I have a couple of questions about X-ray/neutron joint refinement in phenix. <br><br>Is it possible to use the neutron data only for refining hydrogen atom positions and the X-ray data for all other atoms?<br>
</div><br>I used the option to add
hydrogen atoms to model and refine H/D at exchangable sites and H
elsewhere. <br>
<br>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. <br>
<br></div>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?<br><br></div>Thank you for your help.<br><br></div>Emily<br><div><div class=""><div id=":1wg" class="" tabindex="0"><img class="" src="https://mail.google.com/mail/u/0/images/cleardot.gif"></div></div></div></div>