CrystalMaker Online Help

What's New in CrystalMaker 4.0?
Vectors

CrystalMaker 4.0 allows you to display vectors from any atom, in any direction and in any colour. These may prove useful for indicating the direction of atom offsets (e.g., ferroelastic distortion) or ferroelectric vectors. You might also wish to display magnetic vectors.

You can add as many vectors to an atom as you wish (subject to the maximum limit of 100 vectors). Individual vectors can be edited, to change their orientation, length and colour, and it is possible to select vectors en masse, for editing purposes.

To add a vector to an atom or group of atoms:

Select the atom or group of atoms (e.g., by using the arrow tool).
Choose the Selection >Add Vector command.
The Define Vector dialog appears letting you enter the vector's orientation, its colour and, if required, a specific vector length.

To change a vector's length/direction using the mouse:

Select the vector, or group of vectors, by clicking on the vector cone with the arrow tool, or using other selection tools. The cones of selected vectors are then shown in a highlighted state.
Click and drag the vector tip to change its length and direction.

To edit a vector's settings:

Select the vector, or group of vectors (as above).
Choose the Selection > Edit Vector command.
The Define Vector dialog appears, letting you edit the vector's orientation and other settings.

To delete a vector:

Select the vector, or group of vectors.
Choose the Selection > Delete Vector command.

Vectors are defined in terms of their [UVW] indices, that is, their components U, V, W along the crystallographic axes x, y, and z. The Define Vector dialog lets you input these indices (non-integral values are permitted) and you can either use the indices themselves to specify the resulting vector length, or you can type in the length. For example, say you wish to display a vector parallel to the [110] direction, but you wish its length to be 2Å; you would first specify its orientation by entering the three values 1, 1 and 0 in the "Direction [UVW]" fields; you would then check the "Specify Length" box, and type 2 in the length box.

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