Re: [phenixbb] refinement of EM models with hydrogens using phenix.real_space_refine

9 Apr 2020

      Thanks, Pavel, for the quick feedback!

Best,

Nicolas

________________________________
From: Pavel Afonine 
Sent: Wednesday, April 8, 2020 5:31 PM
To: Coudray, Nicolas; [email protected]
Subject: Re: [phenixbb] refinement of EM models with hydrogens using phenix.real_space_refine

[EXTERNAL]

Hi Nicolas,

   We had a question regarding how the phenix.real_space_refine works when used to refine CryoEM models with hydrogens: are hydrogens treated as riding or are they explicitly refined?

yes, they are riding (although the way real-space refinement work in phenix.real_space_refine it doesn't matter!).
Also, they are not included into map target function calculation.

Pavel