RSCC calculation for structures from ensemble refinement
20 Aug
2018
20 Aug
'18
2:45 p.m.
Hi, 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 found." Thanks in advance. Regards, Ashraya Ravikumar, Graduate Student, Indian Institute of Science
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Ashraya Ravikumar