Hi, I have two solutions from the ShelX C/D/E pipeline I would like to compare (different datasets, same protein). They seem to have different origins. Space group is I222, with a choice of 8 origins. How can I find and apply the correct shift to have the phase sets on a common origin? The information on http://www.ccp4.ac.uk/html/alternate_origins.html and http://www.ccp4.ac.uk/html/non-centro_origins.html explain it very well, but thy don't point to the tools to use. Is it a matter of reindex and trying all 8 possibilities?
thanks for your help, Klaas Decanniere
