[phenixbb] RSCC calculation for structures from ensemble refinement

Ashraya Ravikumar ashrayar at gmail.com
Mon Aug 20 07:45:12 PDT 2018


I performed ensemble refinement for an existing PDB structure using
phenix.ensemble_refinement. May I know what is the best way to calculate
real space correlation coefficient at the residue level for the ensemble? I
tried using phenix.real_space_correlation but it gave me the following
error: "Sorry: Multiple equally suitable arrays of observed xray data

Thanks in advance.

Ashraya Ravikumar,
Graduate Student,
Indian Institute of Science
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