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mmcql(1)			  User Commands 			mmcql(1)

NAME
     mmcql - SQL-like tool to manipulate mmCIF files

SYNOPSIS
     mmcql [OPTION] cif-file

DESCRIPTION
     The  mmCIF  format  is  a structured format and with a proper dictionary it
     even looks a lot like a database with relations between categories that act
     as tables.

     In pipelines processing mmCIF files it is often required to  simply  change
     the  content  of a single field, or add some data, delete it, etc. For this
     the mmcql tool offers a SQL like language.

     The actual implementation of the SQL interface is offered by the well-known
     sqlite3 library. Therefore, almost all of the functionality of  sqlite3  is
     available with only a few exceptions.

     Most  notably, the ALTER TABLE option is not working. And if you create new
     tables, they will not be recorded in the mmCIF  file  you're  manipulating.
     That's something that still needs to be implemented.

     The command should be started with a single file as argument

	  mmcql file

     The  specified file will be opened and the first datablock will be selected
     as the current datablock to manipulate. When no other option was specified,
     the program will display a prompt and you can then  type  SQL  commands  or
     backslash commands.

BACKSLASH COMMANDS
     Commands  that  are  preceded  by a backslash are treated as backslash com-
     mands.  These commands are used to manipulate the working of the mmcql  ap-
     plication.

     A list of available backslash commands is displayed by typing the following
     command followed by the ENTER key.

	  \?

     Other commands are:

     \file <file>
	    Close the currently open file (if any) and load the specified file.

     \db <datablock>
	    Select the specified datablock as current.

     \dict <dictionary>
	    Use the specified dictionary instead of the default.

     \format <spec>
	    Use the specified format for the output of tabulated results. Avail-
	    able  options  are: cif, csv, tsv, list, column, markdown, table and
	    box.

     \dd    Show a list of all the datablocks in the file.

     \dc    Show a list of all the categories in the current datablock.

     \dc+   Show a list of all the categories in the entire file.

     \d <category>
	    Show a list of all items in the specified category.

     \d+ <category>
	    Show a list of all items in the specified category, including a col-
	    umn with aliased names.

OPTIONS
     --help, -h
	    Write out some help and the available options.

     --version
	    Write out the current version (with  --verbose  more  info	is  dis-
	    played)

     --verbose,-v
	    Be more verbose, useful to diagnose validation errors.

     --datablock=datablockname, -D datablockname
	    Load the datablock as specified instead of the first one.

     --dict=dictionary, -d dictionary
	    Load the dictionary as specified instead of the default one.

     --file=<file>, -f <file>
	    Read and execute the commands from the specified file and then exit.

     --command=<SQL-statement>, -c <SQL-statement>
	    Execute the specified command and then exit.

     --format=<fmt>
	    Use the specified output format for printing out tabular results.

AUTHOR
     Written by Maarten L. Hekkelman <maarten@hekkelman.com>

REPORTING BUGS
     Report bugs at https://github.com/PDB-REDO/cif-tools/issues

SEE ALSO
     cif-diff, cif-grep, cif-merge, cif2pdb, mmcql, pdb2cif.

version 2.0.0			   2022-11-20				mmcql(1)

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