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This would be an excellent idea As various people have pointed out, the CCP4 program "reindex" will perform a change from eg non-standard P2 21 21 to P 21 21 2, but it will not change any phases in the file Phil [EMAIL PROTECTED] writes: > > > Airlie: it would be nice if Phaser showed the change-of-basis > > operator to the > > reference setting. It is very easy. You just have to print out > > space_group_type.cb_op().c().as_hkl() for re-indexing and > > space_group_type.cb_op().c().as_xyz() for transforming the > > coordinates. > > I'll can change Phaser to write out the mtz and pdb files with the > spacegroup/cell in the standard setting. > If anyone objects to this, now is the time to mention it. > > Airlie
