openapi: 3.0.1 info: license: name: Apache 2.0 url: http://www.apache.org/licenses/LICENSE-2.0.html title: Benchling AA Sequences Molecules API version: 2.0.0 description: 'AA Sequences are the working units of cells that make everything run (they help make structures, catalyze reactions and allow for signaling - a kind of internal cell communication). On Benchling, these are comprised of a string of amino acids and collections of other attributes, such as annotations. ' servers: - url: /api/v2 security: - oAuth: [] - basicApiKeyAuth: [] tags: - description: Molecules are groups of atoms held together by bonds, representing entities smaller than DNA Sequences and AA Sequences. Just like other entities, they support schemas, tags, and aliases. name: Molecules paths: /molecules: get: description: List molecules operationId: listMolecules parameters: - description: 'Number of results to return. Defaults to 50, maximum of 100. ' in: query name: pageSize schema: default: 50 maximum: 100 minimum: 0 nullable: false type: integer - description: Token for pagination in: query name: nextToken schema: type: string - in: query name: sort schema: default: modifiedAt:desc description: 'Method by which to order search results. Valid sorts are name, modifiedAt, and createdAt. Optionally add :asc or :desc to specify ascending or descending order. Default is modifiedAt. ' enum: - createdAt - createdAt:asc - createdAt:desc - modifiedAt - modifiedAt:asc - modifiedAt:desc - name - name:asc - name:desc nullable: false type: string - description: 'Datetime, in RFC 3339 format. Supports the > and < operators. Time zone defaults to UTC. Restricts results to those created in the specified range. e.g. > 2017-04-30. Date ranges can be specified with the following nomenclature > YYYY-MM-DD AND 2022-03-01 AND < 2022-04-01' full-rfc-3339-format: summary: Filter for created models using the full RFC 3339 format value: '> 2020-12-31T21:07:14-05:00' greater-than-example: summary: Filter for all models created after a certain date value: '> 2022-03-01' in: query name: createdAt schema: type: string - description: 'Datetime, in RFC 3339 format. Supports the > and < operators. Time zone defaults to UTC. Restricts results to those modified in the specified range. e.g. > 2017-04-30. Date ranges can be specified with the following nomenclature > YYYY-MM-DD AND 2022-03-01 AND < 2022-04-01' full-rfc-3339-format: summary: Filter for modified models using the full RFC 3339 format value: '> 2020-12-31T21:07:14-05:00' greater-than-example: summary: Filter for all models modified after a certain date value: '> 2022-03-01' in: query name: modifiedAt schema: type: string - description: Name of a Molecule. Restricts results to those with the specified name, alias, or entity registry ID. in: query name: name schema: type: string - description: Name substring of a Molecule. Restricts results to those with names, aliases, or entity registry IDs that include the provided substring. in: query name: nameIncludes schema: type: string - description: ID of a folder. Restricts results to those in the folder. in: query name: folderId schema: type: string - description: 'Comma-separated list of entry IDs. Restricts results to Molecules mentioned in those entries. ' explode: false in: query name: mentionedIn schema: items: type: string type: array - description: ID of a project. Restricts results to those in the project. in: query name: projectId schema: type: string - description: 'ID of a registry. Restricts results to those registered in this registry. Specifying "null" returns unregistered items. ' in: query name: registryId schema: nullable: true type: string - description: 'ID of a schema. Restricts results to those of the specified schema. ' in: query name: schemaId schema: type: string - description: 'Filter based on schema field value (not display value). Restricts results to those with a field whose value matches the filter. For Integer, Float, and Date type fields, supports the >= and <= operators (but not < or >). If any schemaField filters are present, the schemaId param must also be present. Note that all operators must be separated from any values by a single space. ' in: query name: schemaFields schema: $ref: '#/components/schemas/SchemaFieldsQueryParam' - description: 'Archive reason. Restricts results to those with the specified archive reason. Use "NOT_ARCHIVED" to filter for unarchived Molecules. Use "ANY_ARCHIVED" to filter for archived Molecules regardless of reason. Use "ANY_ARCHIVED_OR_NOT_ARCHIVED" to return items for both archived and unarchived. ' examples: any_archived: summary: Includes items archived for any reason. value: ANY_ARCHIVED any_archived_or_not_archived: summary: Includes both archived and unarchived items. value: ANY_ARCHIVED_OR_NOT_ARCHIVED arhived_reason: summary: Includes items archived for a specific reason. value: Retired not_archived: summary: Only include unarchived items (default). value: NOT_ARCHIVED in: query name: archiveReason schema: type: string - description: 'Comma-separated list of item IDs. Restricts results to those that mention the given items in the description. ' explode: false in: query name: mentions schema: items: type: string type: array - description: 'Comma-separated list of ids. Matches all of the provided IDs, or returns a 400 error that includes a list of which IDs are invalid. ' in: query name: ids schema: example: mol_yWs5X7lv,mol_RhYGVnHF type: string - description: 'Comma-separated list of entity registry IDs. Maximum of 100. Restricts results to those that match any of the specified registry IDs. ' in: query name: entityRegistryIds.anyOf schema: example: TP001,TP002 type: string - description: 'Comma-separated list of names. Maximum of 100. Restricts results to those that match any of the specified names, aliases, or entity registry IDs. ' in: query name: names.anyOf schema: example: MyName1,MyName2 type: string - description: Comma separated list of user or app IDs. Maximum of 100. in: query name: authorIds.anyOf schema: example: ent_a0SApq3z,ent_b4AApz9b type: string - description: mol-formatted string for a chemical substructure to search by in: query name: chemicalSubstructure.mol schema: example: "Format described at https://en.wikipedia.org/wiki/Chemical_table_file#Molfile As an example, ethanol is represented as follows: ChEBI\n Marvin 10060515352D\n\n 3 2 0 0 0 0 999 V2000\n 4.8667 -3.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5812 -2.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2956 -3.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM END\n" type: string - description: SMILES string for a chemical substructure to search by in: query name: chemicalSubstructure.smiles schema: example: CCO,C(C1C(C(C(C(O1)O)O)O)O)O type: string responses: '200': content: application/json: schema: $ref: '#/components/schemas/MoleculesPaginatedList' description: OK '400': content: application/json: schema: $ref: '#/components/schemas/BadRequestError' description: Bad request summary: List Molecules tags: - Molecules post: description: Create a Molecule operationId: createMolecule requestBody: content: application/json: schema: $ref: '#/components/schemas/MoleculeCreate' responses: '201': content: application/json: schema: $ref: '#/components/schemas/Molecule' description: Created '400': content: application/json: schema: $ref: '#/components/schemas/BadRequestError' description: Bad Request '503': description: Deprecated, a 429 is returned for too many requests summary: Create a Molecule tags: - Molecules /molecules/{entity_registry_id}:upsert: patch: description: 'Create or update a registered Molecule. Schema field links can be populated using entity registry IDs or API IDs. In the `value` field of the [Field](#/components/schemas/FieldWithResolution) resource, the object `{"entityRegistryId": ENTITY_REGISTRY_ID}` may be provided instead of the API ID if desired (see example value). ' operationId: upsertMolecule parameters: - in: path name: entity_registry_id required: true schema: type: string requestBody: content: application/json: schema: $ref: '#/components/schemas/MoleculeUpsertRequest' responses: '200': content: application/json: schema: $ref: '#/components/schemas/Molecule' description: OK '201': content: application/json: schema: $ref: '#/components/schemas/Molecule' description: OK '400': content: application/json: schema: $ref: '#/components/schemas/BadRequestError' description: Bad Request summary: Create or update a registered Molecule tags: - Molecules /molecules/{molecule_id}: get: description: Get a Molecule operationId: getMolecule parameters: - in: path name: molecule_id required: true schema: type: string responses: '200': content: application/json: schema: $ref: '#/components/schemas/Molecule' description: OK '400': content: application/json: schema: $ref: '#/components/schemas/BadRequestError' description: Bad Request summary: Get a Molecule tags: - Molecules patch: description: Update a Molecule operationId: updateMolecule parameters: - in: path name: molecule_id required: true schema: type: string requestBody: content: application/json: schema: $ref: '#/components/schemas/MoleculeUpdate' responses: '200': content: application/json: schema: $ref: '#/components/schemas/Molecule' description: OK '400': content: application/json: schema: $ref: '#/components/schemas/BadRequestError' description: Bad Request summary: Update a Molecule tags: - Molecules /molecules:archive: post: description: Archive Molecules operationId: archiveMolecules requestBody: content: application/json: schema: $ref: '#/components/schemas/MoleculesArchive' responses: '200': content: application/json: schema: $ref: '#/components/schemas/MoleculesArchivalChange' description: OK '400': content: application/json: schema: $ref: '#/components/schemas/BadRequestError' description: Bad Request summary: Archive Molecules tags: - Molecules /molecules:bulk-create: post: description: Bulk Create Molecules operationId: bulkCreateMolecules requestBody: content: application/json: schema: $ref: '#/components/schemas/MoleculesBulkCreateRequest' responses: '202': content: application/json: schema: $ref: '#/components/schemas/AsyncTaskLink' description: Accepted '400': content: application/json: schema: $ref: '#/components/schemas/BadRequestError' description: Bad Request summary: Bulk Create Molecules tags: - Molecules /molecules:bulk-update: post: description: Bulk Update Molecules operationId: bulkUpdateMolecules requestBody: content: application/json: schema: $ref: '#/components/schemas/MoleculesBulkUpdateRequest' responses: '202': content: application/json: schema: $ref: '#/components/schemas/AsyncTaskLink' description: 'This endpoint launches a [long-running task](#/Tasks/getTask) and returns the Task ID of the launched task. When successful, the task returns a full list of [Molecule](#/Molecules/getMolecule) resources that were updated. ' '400': content: application/json: schema: $ref: '#/components/schemas/BadRequestError' description: Bad Request summary: Bulk Update Molecules tags: - Molecules /molecules:bulk-upsert: post: description: 'All entities and their schemas must be within the same registry. This operation performs the following actions: 1. Any existing objects are looked up in Benchling by the provided entity registry ID. 2. Then, all objects are either created or updated accordingly, temporarily skipping any schema field links between objects. 3. Schema field links can be populated using entity registry IDs or API IDs. In the `value` field of the [Field](#/components/schemas/FieldWithResolution) resource, the object `{"entityRegistryId": ENTITY_REGISTRY_ID}` may be provided instead of the API ID if desired (see example value). You may link to objects being created in the same operation. 4. Entities are registered, using the provided name and entity registry ID. If any action fails, the whole operation is canceled and no objects are created or updated. ' operationId: bulkUpsertMolecules parameters: - description: 'Comma-separated list of fields to return. Modifies the output shape. To return all keys at a given level, enumerate them or use the wildcard, ''*''. For more information, [click here](https://docs.benchling.com/docs/getting-started-1#returning-query-parameter). ' in: query name: returning schema: example: molecules.id,molecules.creator.handle type: string requestBody: content: application/json: schema: $ref: '#/components/schemas/MoleculesBulkUpsertRequest' responses: '202': content: application/json: schema: $ref: '#/components/schemas/AsyncTaskLink' description: 'This endpoint launches a [long-running task](#/Tasks/getTask) and returns the Task ID of the launched task. When successful, the task returns the resources of the objects that were upserted. ' '400': content: application/json: schema: $ref: '#/components/schemas/BadRequestError' description: Bad Request summary: Bulk upsert Molecules tags: - Molecules /molecules:unarchive: post: description: Unarchive Molecules operationId: unarchiveMolecules requestBody: content: application/json: schema: $ref: '#/components/schemas/MoleculesUnarchive' responses: '200': content: application/json: schema: $ref: '#/components/schemas/MoleculesArchivalChange' description: OK '400': content: application/json: schema: $ref: '#/components/schemas/BadRequestError' description: Bad Request summary: Unarchive Molecules tags: - Molecules components: schemas: Molecule: additionalProperties: false properties: aliases: description: Array of aliases. items: type: string type: array apiURL: description: The canonical url of the Molecule in the API. format: uri readOnly: true type: string archiveRecord: allOf: - $ref: '#/components/schemas/ArchiveRecord' nullable: true authors: items: $ref: '#/components/schemas/UserSummary' type: array canonicalizedSmiles: description: The canonicalized chemical structure in SMILES format. example: Nc1nc(=O)n([H])cc1C1CC1 type: string createdAt: description: DateTime the Molecule was created. format: date-time readOnly: true type: string creator: $ref: '#/components/schemas/UserSummary' customFields: allOf: - $ref: '#/components/schemas/CustomFields' description: Custom fields set on the Molecule. entityRegistryId: description: Registry ID of the Molecule if registered. nullable: true type: string fields: $ref: '#/components/schemas/Fields' folderId: description: ID of the folder that contains the Molecule. nullable: true type: string id: description: ID of the Molecule. example: mol_bhuDUw9D type: string modifiedAt: description: DateTime the Molecule was last modified. format: date-time readOnly: true type: string name: description: Name of the Molecule. type: string originalSmiles: description: The original chemical structure supplied by the user in SMILES format. Null if the user did not originally supply SMILES. example: Nc1nc(=O)n([H])cc1C1CC1 nullable: true type: string registrationOrigin: allOf: - $ref: '#/components/schemas/RegistrationOrigin' nullable: true readOnly: true registryId: description: Registry the Molecule is registered in. nullable: true type: string schema: allOf: - $ref: '#/components/schemas/SchemaSummary' nullable: true webURL: description: URL of the Molecule. example: https://benchling.com/benchling/f/lib_R8KcsjhW-molecules/mol_xCUXNVyG-molecule1/edit format: uri readOnly: true type: string type: object MoleculeBaseRequestForCreate: allOf: - $ref: '#/components/schemas/MoleculeBaseRequest' - required: - name - chemicalStructure MoleculeUpdate: additionalProperties: false allOf: - properties: entityRegistryId: type: string type: object - $ref: '#/components/schemas/MoleculeBaseRequest' MoleculesPaginatedList: additionalProperties: false allOf: - $ref: '#/components/schemas/Pagination' - properties: molecules: items: $ref: '#/components/schemas/Molecule' type: array Fields: additionalProperties: $ref: '#/components/schemas/Field' type: object MoleculesArchive: additionalProperties: false description: 'The request body for archiving Molecules. ' properties: moleculeIds: items: type: string type: array reason: description: 'The reason for archiving the provided Molecules. Accepted reasons may differ based on tenant configuration. ' enum: - Made in error - Retired - Expended - Shipped - Contaminated - Expired - Missing - Other type: string required: - reason - moleculeIds type: object FieldWithResolution: allOf: - $ref: '#/components/schemas/Field' - properties: value: allOf: - $ref: '#/components/schemas/FieldValueWithResolution' nullable: true type: object MoleculesArchivalChange: additionalProperties: false description: 'IDs of all items that were archived or unarchived, grouped by resource type. This includes the IDs of Molecules along with any IDs of batches that were archived / unarchived. ' properties: batchIds: items: type: string type: array moleculeIds: items: type: string type: array type: object CustomField: properties: value: type: string type: object MoleculesBulkUpdateRequest: additionalProperties: false properties: molecules: items: $ref: '#/components/schemas/MoleculeBulkUpdate' type: array type: object BadRequestError: properties: error: allOf: - $ref: '#/components/schemas/BaseError' - properties: type: enum: - invalid_request_error type: string type: object ArchiveRecordSet: additionalProperties: false description: Currently, we only support setting a null value for archiveRecord, which unarchives the item example: null nullable: true type: object MoleculesBulkCreateRequest: additionalProperties: false properties: molecules: items: $ref: '#/components/schemas/MoleculeCreate' type: array type: object SchemaFieldsQueryParam: additionalProperties: true example: schemaField.Cell Count: '>= 10 AND <= 50' schemaField.Experiment: MyExperiment schemaField.Started On: <= 2023-05-23T00:00:00Z type: object BaseError: properties: message: type: string type: type: string userMessage: type: string type: object Pagination: properties: nextToken: type: string ArchiveRecord: properties: reason: example: Made in error type: string type: object MoleculeStructure: additionalProperties: false properties: structureFormat: description: 'Format of the chemical structure. - smiles - molfile ' enum: - smiles - molfile type: string value: description: Chemical structure in SMILES or molfile format. example: Nc1nc(=O)n([H:1])cc1C1CC1 type: string type: object MoleculesUnarchive: additionalProperties: false description: 'The request body for unarchiving Molecules. ' properties: moleculeIds: items: type: string type: array required: - moleculeIds type: object FieldType: enum: - dna_sequence_link - aa_sequence_link - custom_entity_link - entity_link - mixture_link - molecule_link - dropdown - part_link - translation_link - aa_part_link - base_molecule_link - blob_link - text - long_text - batch_link - storage_link - entry_link - assay_request_link - assay_result_link - assay_run_link - boolean - float - integer - datetime - date - json type: string MoleculeBulkUpdate: additionalProperties: false allOf: - properties: id: type: string type: object - $ref: '#/components/schemas/MoleculeUpdate' FieldsWithResolution: additionalProperties: $ref: '#/components/schemas/FieldWithResolution' example: Linked Peptide: value: prtn_ObbdtGhC Linked Sequence: value: entityRegistryId: DNA001 Linked Strains: value: - entityRegistryId: STRAIN001 - entityRegistryId: STRAIN002 type: object FieldValueWithResolution: oneOf: - type: string - type: boolean - type: number - items: type: string type: array - additionalProperties: false description: Look up an entity by its entity registry ID properties: entityRegistryId: type: string required: - entityRegistryId type: object MoleculeBulkUpsertRequest: allOf: - $ref: '#/components/schemas/EntityBulkUpsertBaseRequest' - $ref: '#/components/schemas/MoleculeBaseRequestForCreate' NamingStrategy: description: 'Specifies the behavior for automatically generated names when registering an entity. - NEW_IDS: Generate new registry IDs - IDS_FROM_NAMES: Generate registry IDs based on entity names - DELETE_NAMES: Generate new registry IDs and replace name with registry ID - SET_FROM_NAME_PARTS: Generate new registry IDs, rename according to name template, and keep old name as alias - REPLACE_NAMES_FROM_PARTS: Generate new registry IDs, and replace name according to name template - KEEP_NAMES: Keep existing entity names as registry IDs - REPLACE_ID_AND_NAME_FROM_PARTS: Generate registry IDs and names according to name template ' enum: - NEW_IDS - IDS_FROM_NAMES - DELETE_NAMES - SET_FROM_NAME_PARTS - REPLACE_NAMES_FROM_PARTS - KEEP_NAMES - REPLACE_ID_AND_NAME_FROM_PARTS type: string UserSummary: allOf: - $ref: '#/components/schemas/PartySummary' - example: handle: lpasteur id: ent_a0SApq3z name: Louis Pasteur Field: properties: displayValue: nullable: true readOnly: true type: string isMulti: readOnly: true type: boolean textValue: example: Amp nullable: true readOnly: true type: string type: allOf: - $ref: '#/components/schemas/FieldType' readOnly: true value: description: 'For single link fields, use the id of the item you want to link (eg. "seq_jdf8BV24"). For multi-link fields, use an array of ids of the items you want to link (eg. ["seq_jdf8BV24"]) ' nullable: true oneOf: - type: string - type: boolean - type: number - type: object - items: type: string type: array required: - value type: object PartySummary: properties: handle: type: string id: type: string name: type: string type: object MoleculeCreate: additionalProperties: false allOf: - $ref: '#/components/schemas/MoleculeBaseRequestForCreate' - $ref: '#/components/schemas/CreateEntityIntoRegistry' MoleculesBulkUpsertRequest: additionalProperties: false maxItems: 1000 properties: molecules: items: $ref: '#/components/schemas/MoleculeBulkUpsertRequest' type: array required: - molecules type: object AsyncTaskLink: properties: taskId: type: string type: object EntityBulkUpsertBaseRequest: allOf: - $ref: '#/components/schemas/EntityUpsertBaseRequest' - properties: entityRegistryId: description: Registry ID of the entity in Benchling. type: string - required: - entityRegistryId CustomFields: additionalProperties: $ref: '#/components/schemas/CustomField' example: Legacy ID: value: STR100 type: object MoleculeBaseRequest: additionalProperties: false properties: aliases: description: Aliases to add to the Molecule. items: type: string type: array authorIds: description: IDs of users to set as the Molecule's authors. items: type: string type: array chemicalStructure: allOf: - $ref: '#/components/schemas/MoleculeStructure' description: 'Chemical structure of the Molecule. ' customFields: allOf: - $ref: '#/components/schemas/CustomFields' description: 'Custom fields to add to the Molecule. Every field should have its name as a key, mapping to an object with information about the value of the field. ' fields: allOf: - $ref: '#/components/schemas/Fields' description: 'Fields to set on the Molecule. Must correspond with the schema''s field definitions. Every field should have its name as a key, mapping to an object with information about the value of the field. ' folderId: description: 'ID of the folder containing the Molecule. ' type: string name: description: 'Name of the Molecule. ' type: string schemaId: description: 'ID of the Molecule''s schema. ' type: string type: object MoleculeUpsertRequest: allOf: - $ref: '#/components/schemas/EntityUpsertBaseRequest' - $ref: '#/components/schemas/MoleculeBaseRequestForCreate' RegistrationOrigin: properties: originEntryId: nullable: true readOnly: true type: string registeredAt: format: date-time readOnly: true type: string type: object EntityUpsertBaseRequest: properties: archiveRecord: $ref: '#/components/schemas/ArchiveRecordSet' fields: $ref: '#/components/schemas/FieldsWithResolution' name: type: string registryId: type: string schemaId: type: string required: - registryId - name - schemaId type: object CreateEntityIntoRegistry: properties: entityRegistryId: description: 'Entity registry ID to set for the registered entity. Cannot specify both entityRegistryId and namingStrategy at the same time. ' type: string folderId: description: ID of the folder containing the entity. Can be left empty when registryId is present. type: string namingStrategy: $ref: '#/components/schemas/NamingStrategy' registryId: description: 'Registry ID into which entity should be registered. this is the ID of the registry which was configured for a particular organization To get available registryIds, use the [/registries endpoint](#/Registry/listRegistries) Required in order for entities to be created directly in the registry. ' type: string type: object SchemaSummary: properties: id: type: string name: type: string type: object securitySchemes: basicApiKeyAuth: description: Use issued API key for standard access to the API scheme: basic type: http basicClientIdSecretAuth: description: Auth used as part of client credentials OAuth flow prior to receiving a bearer token. scheme: basic type: http oAuth: description: OAuth2 Client Credentials flow intended for service access flows: clientCredentials: scopes: {} tokenUrl: /api/v2/token type: oauth2 externalDocs: description: Additional API Documentation url: https://docs.benchling.com