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
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, [email protected] 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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heinea@mailer.uni-marburg.de
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Pavel Afonine