The main change here is removing the eRMSD calculation and instead using the sequence identity directly in phaser. This should result in a better RMSD estimate in general.
I was using the phaser output mtz for refinement so that the MTZ would have the correct space group following a basis change. Unfortunately using this lost the r-free flag, so I've changed this from the phaser output MTZ to the input MTZ with a basis change where necessary.
Bug fixes, fixed a typo in molrep_mr module and added a missing argument to the check_success functions in amore_search and phaser_rotation_search.
The main change here is removing the eRMSD calculation and instead using the sequence identity directly in phaser. This should result in a better RMSD estimate in general.
I was using the phaser output mtz for refinement so that the MTZ would have the correct space group following a basis change. Unfortunately using this lost the r-free flag, so I've changed this from the phaser output MTZ to the input MTZ with a basis change where necessary.
Bug fixes, fixed a typo in
molrep_mrmodule and added a missing argument to the check_success functions inamore_searchandphaser_rotation_search.