Just a small comment on Eleanor's instructive advices : > ... > If your original structure has cell > > (a2= 47.3, b2=58.9, c2=67.6) and angles (alpha2=90, beta2=99.2, gamma2=90) > > and the second cell is > (a1=67.5, b1=58.8, c1=98.9) and angles (alpha1=90, beta1=101.5, gamma1=90) > ... > I would force my second cell to be > 98.9 58.8 67.5 (alpha1=90, beta1=101.5, gamma1=90) by reindexing l h -k
I guess the proper reindexing would be l k -h, wouldn't it? (l h -k would not really do what you want AND it would also change the reference system to a left-handed one...) Cheers, Alejandro -- Unit of Protein Crystallography Institut Pasteur de Montevideo Uruguay
