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flr_restraints.dic
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#####################################
## FLR_DERIVED_DISTANCE_RESTRAINTS ##
#####################################
###TO DO: Define double well potential in case of no assignment
save_flr_derived_distance_restraints
_category.description
; Data items in the FLR_DERIVED_DISTANCE_RESTRAINTS category records the
details of the distance restraints derived from the fluorescence experiments.
;
_category.id flr_derived_distance_restraints
_category.mandatory_code no
loop_
_category_key.name '_flr_derived_distance_restraints.id'
loop_
_category_group.id 'inclusive_group'
'flr_group'
loop_
_category_examples.detail
_category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
;
Example 1 -
;
;
# ... abbreviated ...
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
_pdbx_category_context.type CONTRIBUTED
_pdbx_category_context.category_id flr_derived_distance_restraints
save_
save__flr_derived_distance_restraints.id
_item_description.description
; A unique identifier for the category.
;
_item.name '_flr_derived_distance_restraints.id'
_item.category_id flr_derived_distance_restraints
_item.mandatory_code yes
_item_type.code int
save_
save__flr_derived_distance_restraints.probe_id_1
_item_description.description
; An identifier for the first probe involved in the distance restraint.
;
_item.name '_flr_derived_distance_restraints.probe_id_1'
_item.category_id flr_derived_distance_restraints
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_flr_derived_distance_restraints.probe_id_1'
_item_linked.parent_name '_flr_probe_list.probe_id'
save_
save__flr_derived_distance_restraints.probe_id_2
_item_description.description
; An identifier for the second probe involved in the distance restraint.
;
_item.name '_flr_derived_distance_restraints.probe_id_2'
_item.category_id flr_derived_distance_restraints
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_flr_derived_distance_restraints.probe_id_2'
_item_linked.parent_name '_flr_probe_list.probe_id'
save_
save__flr_derived_distance_restraints.distance
_item_description.description
; Derived distance in Angstroms.
;
_item.name '_flr_derived_distance_restraints.distance'
_item.category_id flr_derived_distance_restraints
_item.mandatory_code yes
_item_type.code float
_item_units.code angstroms
save_
save__flr_derived_distance_restraints.distance_error_plus
_item_description.description
; Positive distance error in Angstroms.
;
_item.name '_flr_derived_distance_restraints.distance_error_plus'
_item.category_id flr_derived_distance_restraints
_item.mandatory_code no
_item_type.code float
_item_units.code angstroms
save_
save__flr_derived_distance_restraints.distance_error_minus
_item_description.description
; Negative distance error in Angstroms.
;
_item.name '_flr_derived_distance_restraints.distance_error_minus'
_item.category_id flr_derived_distance_restraints
_item.mandatory_code no
_item_type.code float
_item_units.code angstroms
save_
save__flr_derived_distance_restraints.distance_type
_item_description.description
; The type of distance.
If probe models are known, all distance types are inter-related and can be
inter-converted using a conversion function.
;
_item.name '_flr_derived_distance_restraints.distance_type'
_item.category_id flr_derived_distance_restraints
_item.mandatory_code yes
_item_type.code line
loop_
_item_enumeration.value
_item_enumeration.detail
'mean donor acceptor distance (<R_DA>)' 'obtained by fluorescence lifetime measurements'
'FRET averaged donor acceptor distance (<R_E>; <R_DA>_E)' 'obtained by intentsity based measurements'
'distance between mean positions of the probe (R_mp)' 'obtained from the probe models; required for geometric modeling'
save_
#########################
## FLR_STRUCT_MODELING ##
#########################
save_flr_struct_modeling
_category.description
; Data items in the FLR_STRUCT_MODELING category records the
details of the structural modeling carried out.
;
_category.id flr_struct_modeling
_category.mandatory_code no
loop_
_category_key.name '_flr_struct_modeling.id'
loop_
_category_group.id 'inclusive_group'
'flr_group'
loop_
_category_examples.detail
_category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
;
Example 1 -
;
;
# ... abbreviated ...
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
_pdbx_category_context.type CONTRIBUTED
_pdbx_category_context.category_id flr_struct_modeling
save_
save__flr_struct_modeling.id
_item_description.description
; A unique identifier for the category.
;
_item.name '_flr_struct_modeling.id'
_item.category_id flr_struct_modeling
_item.mandatory_code yes
_item_type.code int
save_
save__flr_struct_modeling.exp_id
_item_description.description
; An identifier for the experiment.
;
_item.name '_flr_struct_modeling.exp_id'
_item.category_id flr_struct_modeling
_item.mandatory_code yes
_item_type.code int
_item_linked.child_name '_flr_struct_modeling.exp_id'
_item_linked.parent_name '_flr_experiment.id'
save_
save__flr_struct_modeling.modeling_method
_item_description.description
; The modeling method.
;
_item.name '_flr_struct_modeling.modeling_method'
_item.category_id flr_struct_modeling
_item.mandatory_code yes
_item_type.code line
loop_
_item_enumeration.value
'accessible volume'
'molecular dynamics'
'other'
save_
save__flr_struct_modeling.other_details
_item_description.description
; Description of the "other" modeling method.
;
_item.name '_flr_struct_modeling.other_details'
_item.category_id flr_struct_modeling
_item.mandatory_code no
_item_type.code text
save_