Molecular assembly
external_databases
Description: List of identifiers to records in external databases containing information about the molecular assembly as a whole can be specified here (e.g. PDB:1YQ2 ); information about the individual components should be specified in the details of the individual components
Required: no
Path: metadata.general_parameters.entities_of_interest.external_databases
Type: string (keyword)
Format: ('pdb:XXXX','uniprot:XXXXX')
components
Description: Description of the individual components (e.g. polypeptide, heme, lipids, metal ions etc.) the molecular assembly is composed of (e.g. Hemoglobin alpha) and how many copies of each component were present
Required: yes
Path: metadata.general_parameters.entities_of_interest.components
Type: array of polymorphic object (Assembly_component)
Type_field: type
Contains: see Fields available in assembly components
molecular_weight
Description: The molecular weight of the molecular assembly
Required: yes
Type: object (Molecular_weight)
Contains: see Molecular weight
chemical_modifications
Description: List describing deliberate modifications made to the molecular assembly through chemical, biochemical, or physical means'
Required: no
Type: array of object (Modification)
Contains see Modification
additional_specifications
Description: Additional information about the macromolecular assembly can be specified here
Required: no
Type: array of string (fulltext)
Fields available in assembly components
name
Description: Description of the individual components (e.g. polypeptide, heme, lipids, metal ions etc.) the molecular assembly is composed of (e.g. Hemoglobin alpha) and how many copies of each component were present
Required: yes
Path: metadata.general_parameters.entities_of_interest.components.name
Type: string (keyword)
type
Description: The type of component, options are (biological) Polymer and Chemical
Required: yes
Path: metadata.general_parameters.entities_of_interest.components.type
Type: enumerator (string)
Options: ('Polymer', 'Chemical')
copy_number
Description: Number of copies of the component within the assembly, -1 if unknown
Required: yes
Path: metadata.general_parameters.entities_of_interest.components.type
Type: number (float)
Minimum: -1
quality_controls
Description: Information about if and how quality control of the molecular was performed
Required: no
Type: object (Quality_controls)
Contains see Quality controls
The fields from one of the following:
Polymer
See Polymer
Chemical
See Chemical