[phenixbb] high resolution bin statistics

Sebastiano Pasqualato sebastiano.pasqualato at ifom-ieo-campus.it
Mon Aug 31 03:21:51 PDT 2009


Hi there,
i just wanted to know how is determined the number of bins for which  
the statistics of refinement are given in the header of the pdb  
refined with phenix.refine, and if there's a way to have more than the  
number of bins that is default output.
For example, what if I'd like to have statistics for the 2.6-2.5 bin,  
here:

REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE
REMARK   3     1 32.4159 -  3.9625    0.99     2545   131  0.1921 0.2232
REMARK   3     2  3.9625 -  3.1460    1.00     2447   116  0.1650 0.2289
REMARK   3     3  3.1460 -  2.7486    1.00     2433   121  0.1917 0.2682
REMARK   3     4  2.7486 -  2.4974    1.00     2405   130  0.2244 0.2890

thanks a lot in advance,
ciao
s

-- 
Sebastiano Pasqualato, PhD
IFOM-IEO Campus
Dipartimento di Oncologia Sperimentale
Istituto Europeo di Oncologia
via Adamello, 16
20139 - Milano
Italy

tel +39 02 9437 5094




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