[phenixbb] CB outliers
devaniranjan at gmail.com
Wed Nov 5 11:43:29 PST 2014
I refined a structure using phenix.refine.
The R/R free decreased slightly from 13.46/15.87 to 13.0/15.6.
But, molprobity said there were 3 CB outliers (starting from 0).
I looked at those residues in COOT. I could NOT really see a different
between the refined and initial model.
In addition I looked at COOT
validate-->density fit analysis
I cannot see ANY difference in the peak heights (same numerical value too).
I looked at RSCC (using phenix validate tools as well).
I still can't see a difference in the plots.
I am not sure how to get rid of the 3 CB outliers that have crept in since
I can't pick them out as worse off in the refined model.
I ask since in another case > 3 CB outliers, with the same results in
picking them out in COOT/RSCC.
I am wondering if there is another way I can see the deviation and fix it?
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