21 May
2021
21 May
'21
10:28 p.m.
Hi Florian, you can't exclude selected atoms from refinement in phenix.real_space_refine. I might be able to suggest a workaround if you explain why you want to not refined particular atoms. Pavel On 5/21/21 11:00, Florian Nachon wrote:
Hello,
I want to exclude a residue from XYZ refinement, but I noticed that my atom selection "not (chain A and resid 100)" is ok for reciprocal-space, but not real-space?
Someone encounter a similar problem 10 years ago: http://www.phenix-online.org/pipermail/phenixbb/2012-December/019297.html http://www.phenix-online.org/pipermail/phenixbb/2012-December/019297.html
Is it a known bug? Any clues?
Thanx in advance
— /Florian/