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CRYSTALS manual
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Crystals Primer
Chapter 13: Documentation
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 8 November 2006
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 8 November 2006
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 8 November 2006
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
or
!\COMMANDS LIST listnumber
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.
[Getting Started | Example Of A Simple Structure | Overview | Basic Data Input | The Model | Fourier Maps | Preparation Of The Model | Refinement | Seeing The Structure | Molecular Geometry | Publication Listings | Cif Files | Documentation | The Data Base | Tailoring The Program | Advanced Refinements | Scripts | Data Lists And Instructions ]
