Docs on mmtbx/scaling/absences.py

[afonari]

Hi All,

I'm trying to understand how protein_space_group_choices function works. Python code is not very documented. Can someone point me to information about the implemented algorithm.

Thanks, Sasha

[bkpoon]

@phzwart should know more about that. Based on a cursory look at the function, I suspect it analyzes the systematic absences in the data (miller_array with a given space group) and checks that the systematic absences are consistent with that space group. It also loops over candidate space groups to see if there is another space group that may be a better choice in terms of having the same pattern of systematic absences.

Also, the cctbx bulletin board is another place where users can get help.