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############################################################################
#
#  Suggested definitions of ATOM_SITES_ALT_DOMAIN category
#
#  Herbert J. Bernstein, 26 Sep 95
#
############################################################################

###########################
## ATOM_SITES_ALT_DOMAIN ##
###########################

save_ATOM_SITES_ALT_DOMAIN
    _category.description
;              Data items in the ATOM_SITES_ALT_DOMAIN category record
               details about domains of atom sites which should be
               grouped together to form structural ensembles modeling
               alternate confomational models
;
     _category.id                 atom_sites_alt_domain
     _category.mandatory_code     no
     _category_key.name         '_atom_sites_alt_domain.id'
      loop_
     _category_group.d          'inclusive_group'
                                 'atom_group'
      loop_
     _category_examples.detail
     _category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
;
      Example 1 -- This is a dummy example, real example needed

      We assume atom sites 1-230 belong to one model, 231-460 to another,
      and that het atom sites 461-480 belong to both models.  Note that
      the _atom_sites_alt_domain.id values are arbitrary.  They are used
      simply to ensure a unique key for each row without having to use
      multiple fields.
;
;
      loop_
     _atom_sites_alt_domain.id
     _atom_sites_alt_domain.ens_id
     _atom_sites_alt_domain.site_id_1
     _atom_sites_alt_domain.site_id_2
       1   1     1    230
       2   1   461    480
       3   2   231    460
       4   2   461    480
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
      save_

save__atom_sites_alt_domain.ens_id
    _item_description.description
;              The value of _atom_sites_alt_domain.alt_id links the
               different rows of _atom_sites_alt_domain together to
               identify a structural ensemble to which the domains
               of atom sites refer

               This data item is a pointer to _atom_sites_alt_ens.id
               in the ATOM_SITES_ALT_ENS category
;
    _item.name                  '_atom_sites_alt_domain.ens_id'
    _item.mandatory_code          yes
     save_

################################################################################
###  NOTE:  must add parent-child link to _atom_sites_alt_ens.id               #
################################################################################

save__atom_sites_alt_domain.id
    _item_description.description
;              The value of _atom_sites_alt_domain.id must uniquely
               identify a record in the _atom_sites_alt_domain. list

               Note that this item need not be a number; it can be any
               unique identifier.
;
     loop_
    _item.name
    _item.category_id
    _item.mandatory_code
               '_atom_sites_alt_domain.id'  atom_sites_alt_domain  yes
     save_

save__atom_sites_alt_domain.site_id_1
     _item_description.description
;               The value of _atom_sites_alt_domain.site_id_1 identifies
                the first atom site in a range of atom sites to be
                included in a domain.  The ordering of sites is given
                by the ordering of residues starting from the N-terminus
                of a polypeptide or the 5' terminus of a polynucleotide.
                Within a residue, the ordering is by _atom_site.id, with
                sorting done first numerically by any leading numeric
                component and then alphabetically on any remaining trailing
                non-numeric component of the id.  If there is no implicit
                chain ordering, then the intra-residue ordering rules are
                used for the sites involved.

                This data item is a pointer to _atom_site.id
                in the ATOM_SITE category
;
     _item.name                  '_atom_sites_alt_domain.site_id_1'
     _item.mandatory_code          yes
      save_

save__atom_sites_alt_domain.site_id_2
     _item_description.description
;               The value of _atom_sites_alt_domain.site_id_2 identifies
                the last atom site in a range of atom sites to be
                included in a domain.  The ordering of sites is given
                by the ordering of residues starting from the N-terminus
                of a polypeptide or the 5' terminus of a polynucleotide.
                Within a residue, the ordering is by _atom_site.id, with
                sorting done first numerically by any leading numeric
                component and then alphabetically on any remaining trailing
                non-numeric component of the id.  If there is no implicit
                chain ordering, then the intra-residue ordering rules are
                used for the sites involved.

                This data item is a pointer to _atom_site.id
                in the ATOM_SITE category
;
     _item.name                  '_atom_sites_alt_domain.site_id_2'
     _item.mandatory_code          yes
      save_

################################################################################
###  NOTE:  must add parent-child links to _atom_site.id                       #
################################################################################

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