The X-PLOR
orthogonalization/fractionalization convention
defines **a** in same direction as **x**; **b** is chosen such
that **y** is in the plane defined by **a** and **b**.
This convention is used
by all X-PLOR routines. To avoid
difficulties when using a different convention, read
the coordinates, fractionalize them according to your
convention, and then
orthogonalize them using the X-PLOR 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

Sat Mar 11 09:37:37 PST 1995