[phenixbb] Hirshfeld (rigid bond) test
amakal at chem.uw.edu.pl
amakal at chem.uw.edu.pl
Tue Jan 29 03:51:02 PST 2013
Good Morning,
I have a question concering ADP-s analysis and validation. Thanks to
the recent discussion on this list I learned about the tools for general
ADP-s statistics and average B-factor plotting in PHENIX. Has anyone
ever tried to similarly document/visualize the values of the Hirshfeld's
rigid bond test for macromolecules, using phenix/cctbx tools?
I know the Hirshfeld's can be calculated during phenix refinement
(there is this rigid_bond_test keyword), but I would like to analyze the
values for the final model...
With regards,
Anna Makal
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