[phenixbb] clashscore discrepancies

[Alex Theodossis]

Dear phenixbb,

I have carried out refinement using the latest version of PHENIX, which
gives improved molprobity stats. However, these stats still do not match
those porvided by the molprobity server:


                                   PHENIX output
        Molprobity server

 Existing H-model           Electron-cloud  H-model
All atom clashscore             2.57                           4.2 (81st
perc)                 3.25 (88th percentile)
Rotamer outliers                   0.7                              1.14
                                  1.14
Overall score                      1.04                         1/24 (89th
perc)                   1.16 (93rd percentile)


Given that PHENIX is now giving me the best results and all scenarios give
reasonable results I am less inclined to be concerned. However, I still
find these inconsistencies rather puzzling and am curious to learn what is
causing them.

Thanks in advance.
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