Orthogonalization Convention

xrefin {===>} coor @your_convention.coordinates coor rotate {===>} matrix=( 0.0333 0. 0.0192 ) {*Use your convention.*} ( 0. 0.02 0. ) ( 0. 0. 0.0192 ) end coor translate vector=( 0. 0. 0. ) {*Translate if necessary.*} end {===>} xrefin a=30. b=50. c=60. beta=120 end {*Unit cell.*} coor orthogonalize end {===>} write coordinates output=xplor_convention.coordinates end