Chemical Crystallography

+ Frequently Asked Questions

+ Crystals Primer

+ Crystals User Guide

+ Crystals Manual

- Cameron Manual

1. Introduction

2. How To Get Started

3. Data Input

4. Outputting Data

5. Editing The Atom List

6. Obeying Files

7. Graphical Output Devices

8. View Direction Control

9. Include And Exclude

10. Drawing Style Control

11. Connectivity Control

12. Control Of Colour

13. Atom Labelling

14. Other Picture Controlling Commands

15. Symmetry Input

16. Crystal Packing Commands

17. Add And Move - Further Symmetry Related Commands

18. Distance And Angle Calculations

19. Information On Data Held Within The Program

20. Group Definitions

21. Miscellaneous Commands

22. How To Stop The Program

23. Menu Definition File

24. Some Useful Ideas

+ Index

Fri Jun 2 2000
   

Cameron Manual

Chapter 2: How To Get Started


There is a basic 'startup' procedure that can be followed in order to get a picture on to the screen. The following steps are required :-

1)      Load in a spacegroup if required
2)      Load in the unit cell dimensions
3)      Load in the atomic coordinates
4)      Select an output device
5)      Set the atom drawing style to BALL
6)      Draw a picture

 
This can be accomplished with the following commands, which are illustrated for a compound which has a spacegroup P 21, unit cell parameters a=6.0, b=7.0, c=8.0, alpha=90, beta=115, gamma=90. The atomic coordinates are held in a "list5" type file NIGEL.L5.
SPACEGROUP P 21
INPUT
CELL 6 7 8 90 115 90
LIST5 NIGEL.L5
DEVICE VGA
BALL ALL
FILL
VIEW

 

From here the view direction can be controlled via XROT, YROT, ZROT or CURSOR. If you require a picture of all the atoms in the unit cell the commands are :-

PACK CELL
INCLUDE CELL
VIEW