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Re: CIF dictionary register dictionary

  • To: "Discussion list of the IUCr Committee for the Maintenance of the CIFStandard (COMCIFS)" <[email protected]>
  • Subject: Re: CIF dictionary register dictionary
  • From: John Westbrook <[email protected]>
  • Date: Tue, 22 Mar 2005 06:20:49 -0500
  • In-reply-to: <[email protected]>
  • Organization: Protein Data Bank at Rutgers University
  • References: <[email protected]>
Hi Brian,

It may be helpful to add the url for the DDL in addition to
the version.  Otherwise this looks good to me.

Regards,

John

Brian McMahon wrote:

> In considering the inclusion of the CIF dictionary register
> (ftp://ftp.iucr.org/pub/cifdics/cifdic.register)
> on the Volume G CD-ROM, I noticed that there is no formal
> description of the tags used in that file to identify the
> CIF dictionaries. I have therefore constructed a dictionary
> of the data names in that file, which I attach below for your
> information and comment. This dictionary can also be found at
> 
>   loop_
>     _cifdic_dictionary.name
>     _cifdic_dictionary.version
>     _cifdic_dictionary.DDL_compliance
>     _cifdic_dictionary.reserved_prefix
>     _cifdic_dictionary.URL
>     _cifdic_dictionary.description
>   cif_register.dic   .   1.4  .
>       ftp://ftp.iucr.org/pub/cifdics/cif_register.dic
>       'Data items used within the register of published CIF dictionaries'
>   cif_register.dic   1.0   1.4  .
>       ftp://ftp.iucr.org/pub/cifdics/cif_register_1.0.dic
>       'Data items used within the register of published CIF dictionaries'
> 
> and this information will of course be added to the version of the
> dictionary registered issued upon publication of Volume G.
> 
> Regards
> Brian
> 
> 
> #------------------------------------------------------------------------------
> 
> ##############################################################################
> #                                                                            #
> #                   CIF DICTIONARY REGISTER DEFINITIONS                      #
> #                   -----------------------------------                      #
> #                                                                            #
> # This dictionary contains the names and definitions of data items           #
> # recognised by the International Union of Crystallography for identifying   #
> # and locating public CIF dictionaries in a standard dictionary register.    #
> #                                                                            #
> # Copyright 2005 International Union of Crystallography                      #
> ##############################################################################
> 
> 
> data_on_this_dictionary
>     _dictionary_name            cif_register.dic
>     _dictionary_version         1.0
>     _dictionary_update          2005-03-19
>     _dictionary_history
> ;
>    2005-03-19  First version formalises the data items in the
>                register of CIF dictionaries located at
>                ftp://ftp.iucr.org/pub/cifdics/cifdic.register
>                (Brian McMahon)
> ;
> 
> #######################
> ## CIFDIC_DICTIONARY ##
> #######################
> 
> data_cifdic_dictionary_[]
>     _name                      '_cifdic_dictionary_[]'
>     _category                    category_overview
>     _type                        null
>     loop_ _example
>           _example_detail
> # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
> ;
>     loop_
>       _cifdic_dictionary.name
>       _cifdic_dictionary.version
>       _cifdic_dictionary.DDL_compliance
>       _cifdic_dictionary.reserved_prefix
>       _cifdic_dictionary.URL
>       _cifdic_dictionary.description
>         cif_core.dic    .    1.4   .
>           ftp://ftp.iucr.org/pub/cifdics/cif_core.dic
>           'Core CIF Dictionary'
>         cif_core.dic   1.0   1.4   .
>           ftp://ftp.iucr.org/pub/cifdics/cifdic.C91
>           'Original Core CIF Dictionary'
>         cif_core.dic  2.0.1  1.4   .
>           ftp://ftp.iucr.org/pub/cifdics/cif_core_2.0.1.dic
>           'Core CIF Dictionary'
>         cif_core.dic  2.1    1.4   .
>           ftp://ftp.iucr.org/pub/cifdics/cif_core_2.1.dic
>           'Core CIF Dictionary'
>         cif_core.dic  2.2    1.4   .
>           ftp://ftp.iucr.org/pub/cifdics/cif_core_2.2.dic
>           'Core CIF Dictionary'
>         cif_core.dic  2.3    1.4   .
>           ftp://ftp.iucr.org/pub/cifdics/cif_core_2.3.dic
>           'Core CIF Dictionary'
> ;
> # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
> ;    Example 1 - extract from the IUCr CIF dictionary register identifying
>                  several revisions of the core CIF dictionary.
> ;
> # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
>     _definition
> ;              The single category CIFDIC_DICTIONARY contains all the 
>                attributes required to identify and locate an individual
>                public CIF dictionary file. Although the primary version
>                of this dictionary is maintained as a DDL1 dictionary,
>                the data names have an embedded period character after the
>                category prefix to allow strict isomorphism with a DDL2
>                equivalent.
> ;
> 
> data_cifdic_dictionary.DDL_compliance
>     _name                      '_cifdic_dictionary.DDL_compliance'
>     _category                    cifdic_dictionary
>     _type                        char
>     _list                        yes
>     _definition
> ;              The version string of the CIF dictionary definition language
>                (DDL) used to record data item attributes in the dictionary.
> ;
> 
> data_cifdic_dictionary.description
>     _name                      '_cifdic_dictionary.description'
>     _category                    cifdic_dictionary
>     _type                        char
>     _list                        yes
>     _definition
> ;              A succinct textual description of the dictionary.
> ;
> 
> data_cifdic_dictionary.name
>     _name                      '_cifdic_dictionary.name'
>     _category                    cifdic_dictionary
>     _type                        char
>     _list                        yes
>     _list_mandatory              yes
>     _definition
> ;              The string used as an identifying label within the dictionary
>                file (as data item _dictionary_name for DDL1 dictionaries
>                or _dictionary.title for DDL2 dictionaries).
> ;
> 
> data_cifdic_dictionary.reserved_prefix
>     _name                      '_cifdic_dictionary.reserved_prefix'
>     _category                    cifdic_dictionary
>     _type                        char
>     _list                        yes
>     _definition
> ;              A prefix reserved for use within a dictionary not maintained
>                directly by COMCIFS. The value of this data item must match
>                an entry in the register of reserved prefixes maintained by
>                COMCIFS (http://www.iucr.org/iucr-top/cif/spec/reserved.html).
>                The special CIF value '.' ('inapplicable') is used in the
>                case of COMCIFS-maintained dictionaries.
> ;
> 
> data_cifdic_dictionary.URL
>     _name                      '_cifdic_dictionary.URL'
>     _category                    cifdic_dictionary
>     _type                        char
>     _list                        yes
>     _list_mandatory              yes
>     _definition
> ;              The uniform resource locator (URL) at which the dictionary
>                may be found on the web.
> ;
> 
> data_cifdic_dictionary.version
>     _name                      '_cifdic_dictionary.version'
>     _category                    cifdic_dictionary
>     _type                        char
>     _list                        yes
>     _list_mandatory              yes
>     _definition
> ;              The string used as a version identifier within the dictionary
>                file (as data item _dictionary_version for DDL1 dictionaries
>                or _dictionary.version for DDL2 dictionaries). This may be
>                any legitimate string, but COMCIFS practice recommends a
>                version identifier of the form n.m.l..., where n, m, l, ...
>                are integers referring to progressively less significant
>                revision levels. The special CIF value '.' is used to indicate
>                the current version.
> ;
> 
> #------------------------------------------------------------------------------
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> comcifs mailing list
> [email protected]
> http://scripts.iucr.org/mailman/listinfo/comcifs

-- 
******************************************************************
   John Westbrook, Ph.D.
   Rutgers, The State University of New Jersey
   Department of Chemistry and Chemical Biology
   610 Taylor Road
   Piscataway, NJ 08854-8087
   e-mail: [email protected]
   Ph:  (732) 445-4290  Fax: (732) 445-4320
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