SECTION 1 THE GRAPHICAL INTERFACE

1) Getting into the system on Silicon Graphics

Enter 'XED'. You are now running program XEDRAW

A small Text Port opens at the top of the screen and the main graphics window can be pulled out to suit your needs. Full-sizing is recommended, followed by small adjustments to both windows depending on your display unit. Both windows may be iconised if needed.

You may like to run the graphics from a UNIX shell. To do this, just enter '$COSMIC/xedraw' at the prompt. The program uses several running files (small binaries) which are named in capital letters. The first is called HADD.OUT and contains the molecule you were playing with in the last session. The second is XED.INI and contains the conditions from the last session. The third is DEFDIR.OUT and holds the default data directory set by you from the last session. Others, named HADDx.OUT (x=1-5), are used by the UNDO facility.

XED/COSMIC is continually being updated and there may be functions on screen that I have not had time to add to this document. Let me know if you encounter problems or omissions.

2) Books and Pages

Each book opens when the cursor is on its cover - otherwise the book closes to a general title. There may be more buttons than can be accommodated on one page. In this case, a small star, in the top left-hand corner can be clicked to turn a page.

Books will be referred to by name or number:

Book 1 VIEW- Commands to view attributes and size display

Book 2 CHANGE - Commands to change molecular geometry or attributes

Book 3 MEASURE & REPLANE -

Book 4 SHOW & HIDE - All these commands are turned on and off via a toggled button.

Book 5 ADD & REMOVE - Add/Rem buttons are 'pseudo-toggled'; e.g. If a bond is there, it is removed. If not, a bond is added

Book 6 PROCEDURES -

Book 7 INPUT & OUTPUT -

Book 8 Open commands - This book is always open.

The best way to understand a package is to use it. Try the exercise in Appendix 1

If there is no current molecule in the running file, the system will display a default molecule.

3) Picture Motion

Click the LEFT mouse button anywhere inside the display box (black area). The menu items on each coloured 'book' will disappear.

With LEFT mouse button (LMB) depressed- move cursor to rotate in x & y

With MIDDLE mouse button (MMB) depressed- move cursor to rotate in z

With RIGHT mouse button (RMB) depressed- move cursor to translate

Cursor movement is followed by the molecule.

To re-establish the Books and exit motion, move the cursor out of the display box. No click or button is necessary.

If there are more than one fragments in the display (see later Read (add a dat) in Book 7), a noise will be heard. Note the questions in the Text Port. You will be asked to LEFT-mouse-click on one atom of the fragment to be rotated. If you want all to rotate, LEFT-mouse-click on an empty part of the display.