data_sb_ncbr_charges.dic
    _dictionary.title            mmcif_charges.dic
    _dictionary.version          1.1
    _dictionary.ddl_conformance  2.1

save_sb_ncbr_partial_atomic_charges_meta
    _category.description       'Partial atomic charge-set identity and compact provenance'
    _category.id                sb_ncbr_partial_atomic_charges_meta
    _category.mandatory_code    no
    _category_key.name          '_sb_ncbr_partial_atomic_charges_meta.id'
save_

save__sb_ncbr_partial_atomic_charges_meta.id
    _item_description.description   'Unique ID of a charge set'
    _item.name                      '_sb_ncbr_partial_atomic_charges_meta.id'
    _item.category_id               sb_ncbr_partial_atomic_charges_meta
    _item.mandatory_code            yes
    _item_type.code                 code
save_

save__sb_ncbr_partial_atomic_charges_meta.type
    _item_description.description   'Type of the charge calculation method'
    _item.name                      '_sb_ncbr_partial_atomic_charges_meta.type'
    _item.category_id               sb_ncbr_partial_atomic_charges_meta
    _item.mandatory_code            yes
    _item_type.code                 code
   #
   loop_
   _item_enumeration.value
   _item_enumeration.detail
     QM         'Quantum mechanical method'
     empirical  'Empirical method'
     other      'Other charge calculation method'
   #
save_

save__sb_ncbr_partial_atomic_charges_meta.method
    _item_description.description   'Identifier of the charge calculation method, excluding its parameter set'
    _item.name                      '_sb_ncbr_partial_atomic_charges_meta.method'
    _item.category_id               sb_ncbr_partial_atomic_charges_meta
    _item.mandatory_code            yes
    _item_type.code                 text
save_

save__sb_ncbr_partial_atomic_charges_meta.parameter_set
    _item_description.description   'Identifier of the parameter set used by the method; use . when inapplicable'
    _item.name                      '_sb_ncbr_partial_atomic_charges_meta.parameter_set'
    _item.category_id               sb_ncbr_partial_atomic_charges_meta
    _item.mandatory_code            no
    _item_type.code                 text
save_

save__sb_ncbr_partial_atomic_charges_meta.software_name
    _item_description.description   'Name of the software that produced this charge set'
    _item.name                      '_sb_ncbr_partial_atomic_charges_meta.software_name'
    _item.category_id               sb_ncbr_partial_atomic_charges_meta
    _item.mandatory_code            yes
    _item_type.code                 text
save_

save__sb_ncbr_partial_atomic_charges_meta.software_version
    _item_description.description   'Version of the software that produced this charge set'
    _item.name                      '_sb_ncbr_partial_atomic_charges_meta.software_version'
    _item.category_id               sb_ncbr_partial_atomic_charges_meta
    _item.mandatory_code            yes
    _item_type.code                 text
save_

save_sb_ncbr_partial_atomic_charges
    _category.description 'Partial atomic charges for each atom of the structure'
    _category.id                           sb_ncbr_partial_atomic_charges
    _category.mandatory_code               no

    loop_
    _category_key.name
    '_sb_ncbr_partial_atomic_charges.type_id'
    '_sb_ncbr_partial_atomic_charges.atom_id'
    #
save_

save__sb_ncbr_partial_atomic_charges.type_id
    _item_description.description   'ID of the charge set'
    _item.name                      '_sb_ncbr_partial_atomic_charges.type_id'
    _item.category_id               sb_ncbr_partial_atomic_charges
    _item.mandatory_code            yes
    _item_type.code                 code
    _item_linked.parent_name        '_sb_ncbr_partial_atomic_charges_meta.id'
    _item_linked.child_name         '_sb_ncbr_partial_atomic_charges.type_id'
save_

save__sb_ncbr_partial_atomic_charges.atom_id
    _item_description.description   'ID of an atom'
    _item.name                      '_sb_ncbr_partial_atomic_charges.atom_id'
    _item.category_id               sb_ncbr_partial_atomic_charges
    _item.mandatory_code            yes
    _item_type.code                 int
    _item_linked.parent_name        '_atom_site.id'
    _item_linked.child_name         '_sb_ncbr_partial_atomic_charges.atom_id'
save_

save__sb_ncbr_partial_atomic_charges.charge
    _item_description.description   'The value of partial atomic charge'
    _item.name                      '_sb_ncbr_partial_atomic_charges.charge'
    _item.category_id               sb_ncbr_partial_atomic_charges
    _item.mandatory_code            yes
    _item_type.code                 float
    _item_units.code                e

    _item_range.minimum   -5.0
    _item_range.maximum    5.0
save_