4) Picture Examination

Book 1. VIEW-

Move the cursor over the book cover.


Move the cursor over Book 1. Place the cursor over 'Labels' and press LMB (Left Mouse Button). Labels will appear on the molecule. These will stay until you toggle them off using the same procedure. Toggle 'Types' to see atom hybridisation types which are used in the minimiser (see later).


Zoom is used to examine a small area of the molecule. Click 'Zoom' with the LMB. It will disappear. Move the cursor into the display area and click (press & release) the LMB. . Notice that a small yellow instruction appears at the bottom left hand side of the screen. Pull out a box around the part you want to examine. Click the LMB when the box is right. You can manipulate this picture in the same way as the full picture. Notice that the 'Zoom' button has changes to 'Unzoom'. Click 'Unzoom' when you want to return to the full picture.


This is used to dynamically rescale your display. If you click on the 'Scaledown' button, it will change to 'Scaleup'. If you hold the LMB down on either of these buttons, the display will scale in steps. Release the LMB when the desired display size is reached.


If your molecule is chiral, the relevant R & S labels appear at the chiral atoms if this button is clicked. Nothing will happen otherwise! These labels will stay until you click 'Chirality off'


Your molecule might be very large (although COSMIC/XED is designed for small molecule work and is paramaterised at present for a maximum of 2000 atoms). Click 'Find 1 label'. You will be prompted in the Text Port for an atom number. Enter the atom number you want to find, and press <Enter> on the keyboard (make sure the cursor is in the text port). An atom description will appear in the display and the cursor will be pointing to the atom you asked for. Click in the display to resume.

. Click on the * at the top left hand side of Book 1. Page 2 of Book 1 will appear:


Clicking this, displays orthogonal views of the molecule. Using the RMB, click in any quadrant to choose the view you want.


Clicking this button, gives you what the computer thinks is the most informative view of the molecule....


Click this and get a CPK-type picture. The atom sizes can be changed in 'Sizes' in Book 2. You must re-toggle 'Circles' if you want to return to normal stick representation.


If you can strain your eyes to see stereo in cross-eyed mode. Use this button to display a Stereo View. The 3D view will disappear when you use several of the other commands or toggle back to page 1 of Book 1 using the.

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