xchem/fragalysis-api

Look into alternatives to setting space group of map?

TJGorrie opened this issue · 0 comments

TJGorrie commented

fragalysis-api/fragalysis_api/xcimporter/align.py

Line 606 in 9b26905

mask.spacegroup = gemmi.find_spacegroup_by_name("P 1")

this causes issues now apparently... Maybe use Conor's old code