7.2 Creating Least-Squares Mean Planes

Open the Plane Properties dialogue box:

by choosing Calculate from the top-level menu, Planes... from the pull-down menu and then clicking on New Plane... in the Planes dialogue box;

or by choosing Calculate from the top-level menu, Packing/Slicing... from the pull-down menu and then clicking on the New... button in the Packing and Slicing dialogue box.

Select the Atoms tab in the Plane Properties dialogue box. This allows you to create the least-squares mean plane of:

A set of three or more atoms: switch on the Picked atoms button, click on the required atoms in the display, then hit OK.

A ring system: switch on the Ring button, click on one atom in the required ring, then hit OK.

A molecule or a set of molecules: switch on the Picked molecule button, click on one atom in each of the required molecules, then hit OK.

All atoms in the display, all Non-hydrogen atoms in the display, or all Hydrogen atoms in the display.

You can use the options in the bottom part of the Plane Properties dialogue box to set display properties such as label and colour (see Section 7.4).

Select three or more atoms (see Section 2.6.2).

Right-click anywhere in the display-area background, select New from the pull-down menu and then Mean Plane in the next menu.

The new plane will appear. Its display properties can be edited if required (see Section 7.4).