[phenixbb] real space R value calculation

[Pavel Afonine]

Hi Andreas,

we don't have a user-available tool to calculate RSR R-factor.

However, we do have two tools to compute map-model CC (CCmask) per whole 
model, per chain, per residue and per atom:

for cryo-EM: phenix.map_model_cc

for xtallography: phenix.real_space_correlation

Pavel

P.S.: for details how it is calculated please see: 
https://pubmed.ncbi.nlm.nih.gov/30198894/


On 5/15/23 08:29, heinea at mailer.uni-marburg.de wrote:
> Dear mailing list,
>
> how can I calculate real space R-values fur individual residues or 
> regions in a protein using Phenix?
> Any advice would be greatly appreciated.
>
> Thank you very much in advance,
> Andreas
>
>
>
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