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mmcif_ma.dic
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mmcif_ma.dic
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###################################
## MODELING EXTENSION DICTIONARY ##
###################################
# Version 1.2.0 17th July 2018
# JH/BV
##BV: Will these definitions suffice for fragment assembly methods such as Rosetta?
##BV: Need to address provenance details for spatial restraints used in the modeling
data_mmcif_ma.dic
_datablock.id mmcif_ma.dic
_datablock.description
;
This data block holds the extension dictionary for structural models obtained using
computational methods. This extension is based on the PDBx/mmCIF dictionary (http://mmcif.wwpdb.org).
This resource is actively developed and maintained in a github repository available at
https://github.com/JuergenHaasSIB/modeling_dictionary.
Structural models that are compliant to this extension dictionary can be deposited
to the Model Archive at https://www.modelarchive.org.
;
_dictionary.title mmcif_ma.dic
_dictionary.datablock_id mmcif_ma.dic
_dictionary.version 1.2.0
#
loop_
_dictionary_history.version
_dictionary_history.update
_dictionary_history.revision
1.1.1 2018-07-06
;
Changes (jh/bv)
+ Release as initial version 1.1.1
;
1.1.2 2018-07-09
;
Changes (jh/bv/jw/gt/sb)
+ Updated MA_MODEL_LIST, MA_STRUCT_ASSEMBLY, MA_PROTCOL_STEP
+ Removed MA_STEP_INPUT, MA_STEP_OUTPUT
;
1.1.3 2018-07-10
;
Changes (jh/bv/jw/gt/sb)
+ Added MA_PDB_TEMPLATE, MA_TARGET_REF_DB_DETAILS, MA_DATA_GROUP
;
1.1.4 2018-07-10
;
Changes (jh/bv/jw/gt/sb)
+ Added MA_TARGET_TEMPLATE_MAPPING, MA_PDB_TEMPLATE_TRANS_MATRIX, MA_TARGET_STRUCT
+ Removed MA_STEP_CRITERIA
;
1.1.5 2018-07-11
;
Changes (jh/bv/jw/gt/sb)
+ Revised MA_TARGET_TEMPLATE_MAPPING, MA_ALIGNMENT_DETAILS, MA_TEMPLATE_DETAILS
+ Revised MA_PDB_TEMPLATE, MA_TEMPLATE_COORD
+ Added MA_TEMPLATE_POLY_SEGMENT
;
1.1.6 2018-07-12
;
Changes (jh/bv/jw/gt/sb)
+ Revised MA_ALIGNMENT_DETAILS, MA_PROTOCOL_STEP, MA_TARGET_TEMPLATE_MAPPING
+ Added MA_SOFTWARE_PARAMETER
;
1.1.7 2018-07-13
;
Changes (jh/bv/jw/gt/sb)
+ Revised MA_TEMPLATE_DETAILS, MA_TEMPLATE_POLY_SEGMENT, MA_TEMPLATE_POLY, MA_TEMPLATE_POLY_SEGMENT
+ Added MA_TEMPLATE_NON_POLY, MA_TEMPLATE_CUSTOMIZED
;
1.1.8 2018-07-16
;
Changes (jh/bv/jw/gt/sb)
+ Addressed requirements for coevolution MSA and predicted contacts
;
1.1.9 2018-07-16
;
Changes (jh/bv/jw/gt/sb)
+ Revised MA_TEMPLATE_POLY_SEGMENT, MA_TARGET_TEMPLATE_POLY_MAPPING, MA_ALIGNMENT_DETAILS
;
1.2.0 2018-07-17
;
Changes (jh/bv/jw/gt/sb)
+ Added MA_ALIGNMENT_INFO, MA_TARGET_ENTITY_INSTANCE
+ Revised MA_TEMPLATE_DETAILS, MA_TARGET_TEMPLATE_POLY_MAPPING, MA_ALIGNMENT_DETAILS
;
#########################
## CATEGORY_GROUP_LIST ##
#########################
loop_
_category_group_list.id
_category_group_list.parent_id
_category_group_list.description
##
'inclusive_group' .
; The parent category group containing all of the data categories in the macromolecular dictionary.
;
'ma_group'
'inclusive_group'
; Categories that describe the modeling extension dictionary.
;
####################
## ITEM_TYPE_LIST ##
####################
#
#
# The regular expressions defined here are not compliant
# with the POSIX 1003.2 standard as they include the
# '\n' and '\t' special characters. These regular expressions
# have been tested using version 0.12 of Richard Stallman's
# GNU regular expression library in POSIX mode.
#
#
##############################################################################
loop_
_item_type_list.code
_item_type_list.primitive_code
_item_type_list.construct
_item_type_list.detail
code char
'[][_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words ...
;
ucode uchar
'[][_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words (case insensitive) ...
;
line char
'[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*'
; char item types / multi-word items ...
;
uline uchar
'[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*'
; char item types / multi-word items (case insensitive)...
;
text char
'[][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*'
; text item types / multi-line text ...
;
int numb
'[+-]?[0-9]+'
; int item types are the subset of numbers that are the negative
or positive integers.
;
float numb
'-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?'
; float item types are the subset of numbers that are the floating
numbers.
;
name uchar
'_[_A-Za-z0-9]+\.[][_A-Za-z0-9%-]+'
; name item types take the form...
;
#####################
## ITEM_UNITS_LIST ##
#####################
loop_
_item_units_list.code
_item_units_list.detail
'angstroms' 'Angstroms (metres * 10^(-10)^)'
'8pi2_angstroms_squared' '8pi^2^ * Angstroms squared (metres * 10^(-10)^)^2^'
################
## MA_MODEL_LIST
################
save_ma_model_list
_category.description
; Data items in the MA_MODEL_LIST category record the
details of the models being deposited.
;
_category.id ma_model_list
_category.mandatory_code no
loop_
_category_key.name '_ma_model_list.ordinal_id'
loop_
_category_group.id 'inclusive_group'
'ma_group'
loop_
_category_examples.detail
_category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
;
Example 1 -
;
;
loop_
_ma_model_list.ordinal_id
_ma_model_list.model_id
_ma_model_list.model_group_id
_ma_model_list.model_name
_ma_model_list.model_group_name
_ma_model_list.assembly_id
_ma_model_list.data_id
_ma_model_list.model_type
1 1 1 'Best scoring model' 'cluster1' 1 1 'Homology model'
2 2 1 '2nd Best scoring model' 'cluster1' 1 2 'Homology model'
3 3 1 '3rd Best scoring model' 'cluster1' 1 3 'Homology model'
4 4 1 '4th Best scoring model' 'cluster1' 1 4 'Homology model'
5 5 1 '5th Best scoring model' 'cluster1' 1 5 'Homology model'
6 6 2 'Best scoring model' 'cluster2' 1 6 'Homology model'
7 7 2 '2nd Best scoring model' 'cluster2' 1 7 'Homology model'
8 8 2 '3rd Best scoring model' 'cluster2' 1 8 'Homology model'
9 9 2 '4th Best scoring model' 'cluster2' 1 9 'Homology model'
10 10 2 '5th Best scoring model' 'cluster2' 1 10 'Homology model'
# ... abbreviated ...
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
_pdbx_category_context.type CONTRIBUTED
_pdbx_category_context.category_id ma_model_list
save_
save__ma_model_list.ordinal_id
_item_description.description
; A unique identifier for the model / model group combination.
;
_item.name '_ma_model_list.ordinal_id'
_item.category_id ma_model_list
_item.mandatory_code yes
_item_type.code int
save_
save__ma_model_list.model_id
_item_description.description
; A unique identifier for the structural model being deposited.
;
_item.name '_ma_model_list.model_id'
_item.category_id ma_model_list
_item.mandatory_code yes
_item_type.code int
_item_linked.parent_name '_ma_model_list.model_id'
_item_linked.child_name '_atom_site.pdbx_PDB_model_num'
save_
save__ma_model_list.model_group_id
_item_description.description
; An identifier to group structural models into collections or sets.
A cluster of models and its representative can either be grouped together
or can be separate groups in the ma_model_list table. The choice between
the two options should be decided based on how the modeling was carried out
and how the representative was chosen. If the representative is a member of
the ensemble (i.e., best scoring model), then it is recommended that the
representative and the ensemble belong to the same model group. If the
representative is calculated from the ensemble (i.e., centroid), then it is
recommended that the representative be separated into a different group.
If the models do not need to be grouped into collections, then the
_ma_model_list.model_group_id is the same as _ma_model_list.model_id.
;
_item.name '_ma_model_list.model_group_id'
_item.category_id ma_model_list
_item.mandatory_code no
_item_type.code int
save_
save__ma_model_list.model_name
_item_description.description
; A decsriptive name for the model.
;
_item.name '_ma_model_list.model_name'
_item.category_id ma_model_list
_item.mandatory_code no
_item_type.code line
loop_
_item_examples.case
'Best scoring model'
'2nd best scoring model'
'Cluster center'
save_
save__ma_model_list.model_group_name
_item_description.description
; A decsriptive name for the model group.
;
_item.name '_ma_model_list.model_group_name'
_item.category_id ma_model_list
_item.mandatory_code no
_item_type.code line
loop_
_item_examples.case
'cluster1'
'cluster2'
save_
save__ma_model_list.assembly_id
_item_description.description
; An identifier to the structural assembly corresponding to the model.
;
_item.name '_ma_model_list.assembly_id'
_item.category_id ma_model_list
_item.mandatory_code yes
_item_type.code int
save_
save__ma_model_list.model_type
_item_description.description
; The type of model.
;
_item.name '_ma_model_list.model_type'
_item.category_id ma_model_list
_item.mandatory_code yes
_item_type.code line
loop_
_item_enumeration.value
_item_enumeration.detail
'Homology model' 'Homology or comparative model based on existing templates'
'Ab initio model' 'Ab initio or template-free models'
'Other' 'Other computational models'
save_
save__ma_model_list.model_type_other_details
_item_description.description
; Details for other model types.
;
_item.name '_ma_model_list.model_type_other_details'
_item.category_id ma_model_list
_item.mandatory_code no
_item_type.code text
save_
save__ma_model_list.data_id
_item_description.description
; The data_id identifier. This data item is a pointer to
_ma_data.id in the MA_DATA category.
;
_item.name '_ma_model_list.data_id'
_item.category_id ma_model_list
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_ma_model_list.data_id'
_item_linked.parent_name '_ma_data.id'
save_
#########################
## MA_TEMPLATE_DETAILS ##
#########################
save_ma_template_details
_category.description
; Data items in the MA_TEMPLATE_DETAILS category record details about
the structural templates used in to obtain the homology/comparative models.
The template can be a polymer or a non-polymer and can be either
referenced from an existing database or can be a customized
template provided by the user.
;
_category.id ma_template_details
_category.mandatory_code no
_category_key.name '_ma_template_details.ordinal_id'
loop_
_category_group.id 'inclusive_group'
'ma_group'
loop_
_category_examples.detail
_category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
;
Example 1 -
;
;
loop_
_ma_template_details.ordinal_id
_ma_template_details.template_id
_ma_template_details.template_origin
_ma_template_details.template_entity_type
_ma_template_details.template_trans_matrix_id
_ma_template_details.template_data_id
_ma_template_details.target_asym_id
_ma_template_details.template_label_asym_id
_ma_template_details.template_label_entity_id
_ma_template_details.template_model_num
1 1 "reference database" polymer 1 1 A A 1 1
2 2 "reference database" polymer 1 1 B B 2 1
3 3 "reference database" polymer 1 1 C C 3 1
# ... abbreviated ...
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
_pdbx_category_context.type CONTRIBUTED
_pdbx_category_context.category_id ma_template_details
save_
save__ma_template_details.ordinal_id
_item_description.description
; A unique identifier for the category.
;
_item.name '_ma_template_details.ordinal_id'
_item.category_id ma_template_details
_item.mandatory_code yes
_item_type.code int
save_
save__ma_template_details.template_id
_item_description.description
; A unique identifier for this template record.
;
_item.name '_ma_template_details.template_id'
_item.category_id ma_template_details
_item.mandatory_code yes
_item_type.code int
save_
save__ma_template_details.template_entity_type
_item_description.description
; The type of template.
;
_item.name '_ma_template_details.template_entity_type'
_item.category_id ma_template_details
_item.mandatory_code yes
_item_type.code code
loop_
_item_enumeration.value
'polymer'
'non-polymer'
'water'
'macrolide'
save_
save__ma_template_details.template_origin
_item_description.description
; The origin of the template.
;
_item.name '_ma_template_details.template_origin'
_item.category_id ma_template_details
_item.mandatory_code yes
_item_type.code line
loop_
_item_enumeration.value
_item_enumeration.detail
'reference database' 'template is obtained from an exisiting structural database'
'customized' 'template is a customized one, provided by the user'
save_
save__ma_template_details.template_data_id
_item_description.description
; The data_id identifier for the structural template. This data item is a pointer to
_ma_data.id in the MA_DATA category.
;
_item.name '_ma_template_details.template_data_id'
_item.category_id ma_template_details
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_ma_template_details.template_data_id'
_item_linked.parent_name '_ma_data.id'
save_
save__ma_template_details.target_asym_id
_item_description.description
; A unique identifier for the target instance for which the
structural template is used.
This data item is a pointer to _ma_target_entity_instance.asym_id
in the MA_TARGET_ENTITY_INSTANCE caategory.
;
_item.name '_ma_template_details.target_asym_id'
_item.category_id ma_template_details
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_ma_template_details.target_asym_id'
_item_linked.parent_name '_ma_target_entity_instance.asym_id'
save_
save__ma_template_details.template_label_asym_id
_item_description.description
; The asym ID corresponding to the template.
;
_item.name '_ma_template_details.template_label_asym_id'
_item.category_id ma_template_details
_item.mandatory_code yes
_item_type.code code
save_
save__ma_template_details.template_label_entity_id
_item_description.description
; The entity ID corresponding to the template.
;
_item.name '_ma_template_details.template_label_entity_id'
_item.category_id ma_template_details
_item.mandatory_code yes
_item_type.code code
save_
save__ma_template_details.template_model_num
_item_description.description
; The model number corresponding to the template.
;
_item.name '_ma_template_details.template_model_num'
_item.category_id ma_template_details
_item.mandatory_code yes
_item_type.code int
save_
save__ma_template_details.template_trans_matrix_id
_item_description.description
; The identifier to the transformation matrix applied to the template
in order to generate the starting structure used in the current modeling.
An identify matrix should be referenced in case of no transformation.
;
_item.name '_ma_template_details.template_trans_matrix_id'
_item.category_id ma_template_details
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_ma_template_details.template_trans_matrix_id'
_item_linked.parent_name '_ma_template_trans_matrix.id'
save_
save__ma_template_details.template_name
_item_description.description
; A name for the template.
;
_item.name '_ma_template_details.template_name'
_item.category_id ma_template_details
_item.mandatory_code no
_item_type.code line
save_
save__ma_template_details.template_description
_item_description.description
; Description of the template.
;
_item.name '_ma_template_details.template_description'
_item.category_id ma_template_details
_item.mandatory_code no
_item_type.code text
save_
######################
## MA_TEMPLATE_POLY ##
######################
save_ma_template_poly
_category.description
; Data items in the MA_TEMPLATE_POLY category record details about
the polymeric templates.
;
_category.id ma_template_poly
_category.mandatory_code no
_category_key.name '_ma_template_poly.template_id'
loop_
_category_group.id 'inclusive_group'
'ma_group'
loop_
_category_examples.detail
_category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
;
Example 1 -
;
;
loop_
_ma_template_poly.template_id
_ma_template_poly.full_seq_one_letter_code
_ma_template_poly.full_seq_one_letter_code_can
1
;SNAKYFQIDELTLNALRITTIESLTPEQRLELIKAHLLNIKTPSDDNEPWDEF
;
;SNAKYFQIDELTLNALRITTIESLTPEQRLELIKAHLLNIKTPSDDNEPWDEF
;
2
;HDTQQEIFDKQRRLQELSEKVRTCHQEISALRKALQEKEAELQVLEDIQTI
;
;HDTQQEIFDKQRRLQELSEKVRTCHQEISALRKALQEKEAELQVLEDIQTI
;
3
;KHHHHHHPSDYDIPTTENLYFQGAEPVEDRSIEISIRVDDFTKTGETVRY
;
;KHHHHHHPSDYDIPTTENLYFQGAEPVEDRSIEISIRVDDFTKTGETVRY
;
# ... abbreviated ...
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
_pdbx_category_context.type CONTRIBUTED
_pdbx_category_context.category_id ma_template_poly
save_
save__ma_template_poly.template_id
_item_description.description
; A unique identifier for the template.
This data item is a pointer to _ma_template_details.template_id
in the MA_TEMPLATE_DETAILS caategory.
;
_item.name '_ma_template_poly.template_id'
_item.category_id ma_template_poly
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_ma_template_poly.template_id'
_item_linked.parent_name '_ma_template_details.template_id'
save_
save__ma_template_poly.seq_one_letter_code
_item_description.description
; Chemical sequence of the template expressed as string of one-letter amino acid / nucleotide codes.
Modifications and non-standard amino acids are included as three-letter codes within parentheses.
;
_item.name '_ma_template_poly.seq_one_letter_code'
_item.category_id ma_template_poly
_item.mandatory_code no
_item_type.code text
save_
save__ma_template_poly.seq_one_letter_code_can
_item_description.description
; The canonical chemical sequence of the template expressed as string of one-letter amino acid / nucleotide codes.
Modifications are coded as the parent amino acid / nucleotide where possible.
;
_item.name '_ma_template_poly.seq_one_letter_code_can'
_item.category_id ma_template_poly
_item.mandatory_code no
_item_type.code text
save_
save__ma_template_poly.details
_item_description.description
; Additional details about the polymeric template.
;
_item.name '_ma_template_poly.details'
_item.category_id ma_template_poly
_item.mandatory_code no
_item_type.code text
save_
##########################
## MA_TEMPLATE_NON_POLY ##
##########################
save_ma_template_non_poly
_category.description
; Data items in the MA_TEMPLATE_NON_POLY category record details about
the non-polymeric templates used in the modeling.
;
_category.id ma_template_non_poly
_category.mandatory_code no
_category_key.name '_ma_template_non_poly.template_id'
loop_
_category_group.id 'inclusive_group'
'ma_group'
loop_
_category_examples.detail
_category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
;
Example 1 -
;
;
loop_
_ma_template_non_poly.template_id
_ma_template_non_poly.inchi_key
1 .
# ... abbreviated ...
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
_pdbx_category_context.type CONTRIBUTED
_pdbx_category_context.category_id ma_template_non_poly
save_
save__ma_template_non_poly.template_id
_item_description.description
; A unique identifier for the template.
This data item is a pointer to _ma_template_details.template_id
in the MA_TEMPLATE_DETAILS caategory.
;
_item.name '_ma_template_non_poly.template_id'
_item.category_id ma_template_non_poly
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_ma_template_non_poly.template_id'
_item_linked.parent_name '_ma_template_details.template_id'
save_
save__ma_template_non_poly.smiles
_item_description.description
; The smile string of the non-polymeric template.
;
_item.name '_ma_template_non_poly.smiles'
_item.category_id ma_template_non_poly
_item.mandatory_code no
_item_type.code line
save_
save__ma_template_non_poly.smiles_canonical
_item_description.description
; The canonical smile string of the non-polymeric template.
;
_item.name '_ma_template_non_poly.smiles_canonical'
_item.category_id ma_template_non_poly
_item.mandatory_code no
_item_type.code line
save_
save__ma_template_non_poly.inchi
_item_description.description
; The IUPAC INCHI descriptor of the non-polymeric template.
;
_item.name '_ma_template_non_poly.inchi'
_item.category_id ma_template_non_poly
_item.mandatory_code no
_item_type.code line
save_
save__ma_template_non_poly.inchi_key
_item_description.description
; The hashed INCHI key of the non-polymeric template.
;
_item.name '_ma_template_non_poly.inchi_key'
_item.category_id ma_template_non_poly
_item.mandatory_code no
_item_type.code line
save_
save__ma_template_non_poly.details
_item_description.description
; Additional details about the non-polymeric template.
;
_item.name '_ma_template_non_poly.details'
_item.category_id ma_template_non_poly
_item.mandatory_code no
_item_type.code text
save_
##############################
## MA_TEMPLATE_POLY_SEGMENT ##
##############################
save_ma_template_poly_segment
_category.description
; Data items in the MA_TEMPLATE_POLY_SEGMENT category record details about
the template segments used in the modeling.
;
_category.id ma_template_poly_segment
_category.mandatory_code no
_category_key.name '_ma_template_poly_segment.id'
loop_
_category_group.id 'inclusive_group'
'ma_group'
loop_
_category_examples.detail
_category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
;
Example 1 -
;
;
loop_
_ma_template_poly_segment.id
_ma_template_poly_segment.template_id
_ma_template_poly_segment.residue_number_begin
_ma_template_poly_segment.residue_number_end
_ma_template_poly_segment.segment_length
_ma_template_poly_segment.residue_name_begin
_ma_template_poly_segment.residue_name_end
1 1 1 53 53 MET VAL
2 2 1 60 60 ILE ALA
# ... abbreviated ...
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
_pdbx_category_context.type CONTRIBUTED
_pdbx_category_context.category_id ma_template_poly_segment
save_
save__ma_template_poly_segment.id
_item_description.description
; A unique identifier for the template segment used in the modeling.
;
_item.name '_ma_template_poly_segment.id'
_item.category_id ma_template_poly_segment
_item.mandatory_code yes
_item_type.code int
save_
save__ma_template_poly_segment.template_id
_item_description.description
; An identifier to the full template.
This data item is a pointer to _ma_template_poly.template_id
in the MA_TEMPLATE_POLY category.
;
_item.name '_ma_template_poly_segment.template_id'
_item.category_id ma_template_poly_segment
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_ma_template_poly_segment.template_id'
_item_linked.parent_name '_ma_template_poly.template_id'
save_
save__ma_template_poly_segment.residue_number_begin
_item_description.description
; The leading residue index for the template segment in the template structure.
;
_item.name '_ma_template_poly_segment.residue_number_begin'
_item.category_id ma_template_poly_segment
_item.mandatory_code no
_item_type.code int
save_
save__ma_template_poly_segment.residue_number_end
_item_description.description
; The trailing residue index for the template segment in the template structure.
;
_item.name '_ma_template_poly_segment.residue_number_end'
_item.category_id ma_template_poly_segment
_item.mandatory_code no
_item_type.code int
save_
save__ma_template_poly_segment.residue_name_begin
_item_description.description
; The leading residue name (3-letter code) for the template segment
in the template structure.
;
_item.name '_ma_template_poly_segment.residue_name_begin'
_item.category_id ma_template_poly_segment
_item.mandatory_code no
_item_type.code ucode
save_
save__ma_template_poly_segment.residue_name_end
_item_description.description
; The trailing residue name (3-letter code) for the template segment
in the template structure.
;
_item.name '_ma_template_poly_segment.residue_name_end'
_item.category_id ma_template_poly_segment
_item.mandatory_code no
_item_type.code ucode
save_
save__ma_template_poly_segment.segment_length
_item_description.description
; The length of the template segment.
;
_item.name '_ma_template_poly_segment.segment_length'
_item.category_id ma_template_poly_segment
_item.mandatory_code no
_item_type.code int
save_
################################
## MA_TEMPLATE_REF_DB_DETAILS ##
################################
save_ma_template_ref_db_details
_category.description
; Data items in the MA_TEMPLATE_REF_DB_DETAILS category record details about
the templates from the reference database.
;
_category.id ma_template_ref_db_details
_category.mandatory_code no
_category_key.name '_ma_template_ref_db_details.template_id'
loop_
_category_group.id 'inclusive_group'
'ma_group'
loop_
_category_examples.detail
_category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
;
Example 1 -
;
;
loop_
_ma_template_ref_db_details.template_id
_ma_template_ref_db_details.db_name
_ma_template_ref_db_details.db_accession_code
1 PDB 5KKO
2 PDB 5CX2
3 PDB 5DHA
# ... abbreviated ...
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
_pdbx_category_context.type CONTRIBUTED
_pdbx_category_context.category_id ma_template_ref_db_details
save_
save__ma_template_ref_db_details.template_id
_item_description.description
; A unique identifier for this template record. This data item is a
pointer to '_ma_template_details.template_id in the
MA_TEMPLATE_DETAILS category.
;
_item.name '_ma_template_ref_db_details.template_id'
_item.category_id ma_template_ref_db_details
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_ma_template_ref_db_details.template_id'
_item_linked.parent_name '_ma_template_details.template_id'
save_
save__ma_template_ref_db_details.db_name
_item_description.description
; The name of the reference database.
;
_item.name '_ma_template_ref_db_details.db_name'
_item.category_id ma_template_ref_db_details
_item.mandatory_code yes
_item_type.code code
loop_
_item_enumeration.value
'PDB' 'Protein Data Bank'
'PDB-Dev' 'PDB-Dev'
'MA' 'Model Archive'
'Other' 'Other'
save_
save__ma_template_ref_db_details.db_name_other_details
_item_description.description
; The name of the other reference database.
;
_item.name '_ma_template_ref_db_details.db_name_other_details'
_item.category_id ma_template_ref_db_details
_item.mandatory_code no
_item_type.code line
save_
save__ma_template_ref_db_details.db_accession_code
_item_description.description
; The accession code corresponding to the reference database entry.
;
_item.name '_ma_template_ref_db_details.db_accession_code'
_item.category_id ma_template_ref_db_details
_item.mandatory_code yes
_item_type.code line
save_
############################
## MA_TEMPLATE_CUSTOMIZED ##
############################
save_ma_template_customized
_category.description
; Data items in the MA_TEMPLATE_CUSTOMIZED category record details about
the customized templates that are not from a reference database.
;
_category.id ma_template_customized
_category.mandatory_code no
_category_key.name '_ma_template_customized.template_id'
loop_
_category_group.id 'inclusive_group'
'ma_group'
loop_
_category_examples.detail
_category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
;
Example 1 -
;
;
loop_
_ma_template_customized.template_id
_ma_template_customized.details
1 .
2 .
3 .
# ... abbreviated ...
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
_pdbx_category_context.type CONTRIBUTED
_pdbx_category_context.category_id ma_template_customized
save_
save__ma_template_customized.template_id
_item_description.description
; A unique identifier for this template record.
This data item is a pointer to _ma_template_details.template_id
in the MA_TEMPLATE_DETAILS category.
;
_item.name '_ma_template_customized.template_id'
_item.category_id ma_template_customized
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_ma_template_customized.template_id'
_item_linked.parent_name '_ma_template_details.template_id'
save_
save__ma_template_customized.details
_item_description.description
; Additional textual details about how the customized template was built.
;
_item.name '_ma_template_customized.details'
_item.category_id ma_template_customized
_item.mandatory_code no
_item_type.code line
save_
##############################
## MA_TEMPLATE_TRANS_MATRIX ##
##############################
save_ma_template_trans_matrix
_category.description