[phenixbb] clashscore discrepancies

Alex Theodossis alex.theodossis at monash.edu
Sat Apr 27 16:21:21 PDT 2013

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
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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20130428/9a36cb75/attachment.htm>

More information about the phenixbb mailing list