Chemical Crystallography

+ Frequently Asked Questions

- Crystals Primer

1. Getting Started

2. Example Of A Simple Structure

3. Overview

4. Basic Data Input

5. The Model

6. Fourier Maps

7. Preparation Of The Model

8. Refinement

9. Seeing The Structure

10. Molecular Geometry

11. Publication Listings

12. Cif Files

13. Documentation

14. The Data Base

15. Tailoring The Program

16. Advanced Refinements

17. Scripts

18. Data Lists And Instructions

+ Crystals User Guide

+ Crystals Manual

+ Cameron Manual

+ Index

Fri Jun 2 2000

Crystals Primer

Chapter 13: Documentation

13.1: The Manual

13.2: On-line HELP

13.3: Command summary

The main documentation is the Reference Manual.

While CRYSTALS is running, the user can also get various types of information on-line.

13.1: The Manual

The Manual is voluminous but moderately complete and accurate. The chapters are organised to roughly follow the path of an analysis, but tables are appended to this guide as aide-memoires for commands and data lists.

13.2: On-line HELP

The on-line documentation consists of text files giving tips and advice.

     !\HELP             HELP
     !\HELP             topic
     !\INDEX             INDEX
     !\INDEX             topic


13.3: Command summary

CRYSTALS uses a master system-data-base containig the definitions of all COMMANDS and LISTS. This can be interogated to get terse aide-memoires of COMMANDS and LISTS.

This COMMAND should only be issued after any preceeding COMMANDS have executed to completion. Its format is:

     !\COMMANDS      commandname
     !\COMMANDS      LIST      listnumber


Query facility

Once a COMMAND is initiated, information about its directives and parameters can be obtained by starting a line with '?'. This facility will not work if an error has occured during the input of the current COMMAND.

      !?MAP            TYPE
      !MAP             TYPE=DIFF


In this example, the first ? produces a list of available directives, the second a list of parameters for MAP, and the third a list of permitted map types, and the default choice.