corrects a previous bug/poor behavior where following scaling, the unit cell from the "off" data was used for both datasets. Now, following SCALEIT, the unit cell from the "on" mtz is manually restored.
Following SCALEIT, both mtzs ("off" and "scaled on") are truncated to have matching resolution.
various changes to the rigid-body refinement wrapper to ensure compatibility between all utilities.
I also continued work on the file cleanup functionality. This will be finished in a future PR which includes a more radical overhaul of how paths are handled.
This PR:
SCALEIT
, the unit cell from the "on" mtz is manually restored.SCALEIT
, both mtzs ("off" and "scaled on") are truncated to have matching resolution.I also continued work on the file cleanup functionality. This will be finished in a future PR which includes a more radical overhaul of how paths are handled.