CRYSTALS
manuals

Contents

+ 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 + Menu and toolbar + Getting Started + Crystals Worked Examples + Index

Manuals built:
Wednesday 27 April 2011

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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.
 

[Top] [Index] Manuals generated on Wednesday 27 April 2011

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.
 

[Top] [Index] Manuals generated on Wednesday 27 April 2011

13.2: On-line HELP

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

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


[Top] [Index] Manuals generated on Wednesday 27 April 2011

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.

\COMMANDS

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

     !\COMMANDS      commandname
 or
     !\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. 

      !\FOURIER
      !?
      !?MAP
      !?MAP            TYPE
      !MAP             TYPE=DIFF
      !END


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.
 

© Copyright Chemical Crystallography Laboratory, Oxford, 2011. Comments or queries to Richard Cooper - richard.cooper@chem.ox.ac.uk Telephone +44 1865 285019. This page last changed on Wednesday 27 April 2011.