Conversion between fractional and Cartesian coordinates

            The "Tools/Crystallography tools/" menu item allows fractional coordinates used in crystallographic measurements to be converted into Cartesian coordinates, and conversely, using data on unit cell: a, b, c, a, b, g. To convert fractional coordinates to Cartesian, firstly open a .xyz file with fractional coordinates of the molecule, or import the coordinates from the clipboard using Coord mode. The molecule will appear distorted. Then select "Tools/Crystallography tools/recount fractional to Cartesian" and type the cell parameters. Conversion of Cartesian coordinates into fractional is done in the same way.

            The button "Apply current structure as .cif file" allows one to visualize the lattice vectors, cell borders, or duplicate the unit cell.