Using the Info Window

CrystalMaker's Info Window does more than just list atoms;
it provides a quick and easy way to label groups of atoms,
to hide specific sites or change their colours

The Info Window serves as a key to the atoms in your structure, as well as providing ways of controlling atom colours, labels, and visibility. When you launched CrystalMaker for the first time, the Info Window was displayed on the top right hand side of your screen; thereafter, the window's position can be changed according to your convenience.

• If the Info Window has been hidden, it can be made visible again by selecting the Windows > Info menu command.

At a glance, the Info Window identifies the colours of the different atoms in your structure. It also lists the currently-set atomic radii ("r/A"- in Angstrom units, where 1A = 0.1nm) for each crystallographic site, as well as its coordination number ("CN") and polyhedral environment (as deduced from any bonds which have been defined for the present structure).

Manipulating the Atoms List

Atoms are grouped by chemical element, into "folders". You can open or close these folder groups by clicking the blue disclosure triangles on the left-hand side; this expands or contracts the listing of atoms which have the same chemical element. (Note that an element folder icon changes depending on whether its atoms list is open or closed.)

• To open/close all folder icons, hold the option key down as you click an arrow.

Changing Atom Colours

You can easily colour atoms of a particular chemical element - by clicking the appropriate element colour bar . (Each element row in the Info Window has a coloured bar, which acts as a colour button; clicking it displays the standard Macintosh colour picker, letting you select a new element colour.)

(Please note: if you require different colours for sites which have the same chemical elements, (e.g., Al 1 and Al 4 sites, both of which contain aluminium), you will need to use the Edit > Atom Specs command. This brings up the Edit Atom Specs dialog which gives you the option of colouring sites by element or by crystallographic site - and the latter option would apply in this case.)

Labelling Atoms

You can label atoms in your structure - either according to their crystallographic site, or according to their chemical element. (The labels used are as defined in the Model Options dialog, on the Labels page.)

• To apply labels to all atoms which reside on a particular site (e.g., the "Al 1" site), locate the corresponding site row in the Info Window, then click on the site label . A luggage tab is drawn around the label text, and the structure is then replotted.
• To apply labels to all atoms of the same chemical (element) type (e.g., all aluminium atoms), locate the corresponding element row in the Info window, and click on the element symbol. A luggage tab is drawn around the symbol, and the structure is then replotted.

To remove atom labels, simply click on the luggage tab a second time.

Show/Hide Groups of Atoms

You can hide groups of atoms according to their crystallographic site, or their chemical element. This is actually a very powerful way of visualizing complex structures ­ often one "cannot see the wood for the trees", and the Info Window lets you simplify the structure intuitively, and quickly.

• To hide atoms of a particular site, click on the coloured circle (or sphere) to the left of the atom symbol; a hollow circle appears , and the structure is replotted with all atoms of this site hidden. To show the atoms, click on the hollow circle again.
• To hide all atoms for a particular element, click on the box icon to the left of the element symbol, adjacent to the colour bar; the solid box icon is replaced by a hollow-looking icon , and the structure is replotted with every atom of this element type hidden. To bring these atoms back, click on the hollow box.

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