With the 3decision API, you can edit the metadata of your previously registered structures.
Structure Metadata are accessible from the user interface in the "GENERAL" section of the Information Browser.
These are not to be confused with Structure Annotations which are a different type of information.
This section describes how to use the appropriate endpoints for editing structure metadata:
- for a single structure:
PUT /structures/{structure_id}/metadata - for batch of structures:
PUT /structures/metadata
¶ Edit Structure Metadata
To edit the structure metadata, you first need to access and activate the API (instructions in the Access page of this documentation).
For editing metadata of a single structure, you should use the PUT /structures/{structure_id}/metadata, for which you would require:
structureID: the internal identifier of the structure you want to edit (to retrieve the structureID, useGET /structures/code/{external_code}endpoint. See the dedicated section below for a step-by-step guide)- Request body with the information you want to update. Can be one (or all) of these:
Experimental Method: the experimental method used to determine the atomic structure. The list of all allowed values can be found with theGET /experimental-methodsendpoint.Resolution: resolution obtained during structure determination, in case of 'SOLUTION NMR' or 'MODEL' experimental methods, you should use 0 as resolution.Title: structure title.Label: structure label.
For editing metadata of a batch of structures, you should use the PUT /structures/metadata, for which you would require payloads for each structure you want to edit, with the same information for the single structure edit.
¶ 1. Retrieve the StructureID from the External Code
The structureID is the unique identifier (in the format of a number) generated upon registration of any structure in the 3decision database. The external code is a 6-digit code that identifies a structure registered by a User in the user interface.
To retrieve the structureID from the external code, you can use the GET /structures/code/{external_code} endpoint.
¶ From the 3decision API interface:
- From the activated API interface, go to the
GET /structures/code/{external_code}endpoint - Click on "Try it out"
- Input the external code of the structure
- Click on “Execute”.
¶ Using the 'curl' command:
curl -X 'GET' \
'https://3decision-<customer>-api.discngine.cloud/structures/code/pjhzap' \
-H 'accept: application/json' \
-H 'X-API-VERSION: 1' \
-H 'Authorization: Bearer eyJh********I6Y'
¶ Response example
{
"structures": [
{
"structure_id": 823681,
"external_code": "myawr9"
}
]
}
The structureID is returned in the response body, and this is the value to use in the "structureID" field of the Metadata endpoints.
¶ 2. Edit Structure Metadata for a single structure
¶ From the 3decision API interface:
- From the activated API interface, go to the
PUT /structures/{structure_id}/metadataendpoint - Click on "Try it out"
- Type the structureID in the "structure_id" field
- Edit the "Response Body" with the new title, label, etc. Here is an example you can use:
{
"title": "My test title",
"label": "My test label"
}
- Click on "Execute"
¶ Using the 'curl' command:
curl -X 'PUT' \
'https://3decision-api.discngine.cloud/structures/823681/metadata' \
-H 'accept: application/json' \
-H 'X-API-VERSION: 1' \
-H 'Authorization: Bearer eyJhxxxxpz8Vzgdo8' \
-H 'Content-Type: application/json' \
-d '{
"title": "My test title",
"label": "My test label"
}'
¶ Response example
[
{
"structure_id": 823681,
"experimentalMethodId": 104,
"resolution": 2.166,
"title": "My test title",
"label": "My test label"
}
]
In the "GENERAL" section of the Information panel of your structure now you will find the updated title and label
¶ 3. Edit Structure Metadata for a batch of structures
¶ From the 3decision API interface:
- Go to the
PUT /structures/metadataendpoint - Click on "Try it out"
- Edit the "Response Body" with the structureID, new title, label, etc. Here is an example you can use:
[
{
"title": "My new test title",
"label": "My new test label",
"structure_id": 823681
},
{
"title": "My test title",
"label": "My test label",
"structure_id": 821398
}
]
- Click on "Execute"
¶ Using the 'curl' command:
curl -X 'PUT' \
'https://3decision-api.discngine.cloud/structures/metadata' \
-H 'accept: application/json' \
-H 'X-API-VERSION: 1' \
-H 'Authorization: Bearer eyJhbGciOiJIUzI1NiIsInR5cCI6IkpXVCJ9.eyJpZCI6MzA2NywidXNlcm5hbWUiOiJlbGlzYS5tYXJ0aW5vX19fZGlzY25naW5lLmNvbSIsImVtYWlsIjoiZWxpc2EubWFydGlub0BkaXNjbmdpbmUuY29tIiwiam9iIjpudWxsLCJkZXNjcmlwdGlvbiI6bnVsbCwic3RhdHVzIjoiYWN0aXZlIiwiY29ubmVjdGVkIjoiTiIsInByb2ZpbGUiOnsiaWQiOjIsImxhYmVsIjoiQ3J5c3RhbGxvZ3JhcGhlciIsImRlc2NyaXB0aW9uIjoiQ3J5c3RhbGxvZ3JhcGhlciBwcm9maWxlIn0sIm9yZ2FuaXphdGlvbl9pZCI6MSwiZGlzcGxheV9uYW1lIjoiRWxpc2EgTWFydGlubyIsImV4cCI6MTcyMzE2ODk0NiwiaWF0IjoxNzIzMTAwNTQ2LCJpc3MiOiIzREVDSVNJT04ifQ.k5lAJaW7P-io9yZe-WkdXq1rYLBUnJIXgwpz8Vzgdo8' \
-H 'Content-Type: application/json' \
-d '[
{
"title": "My new test title",
"label": "My new test label",
"structure_id": 823681
},
{
"title": "My test title",
"label": "My test label",
"structure_id": 821398
}
]'
¶ Response example
[
{
"structure_id": 823681,
"experimentalMethodId": 104,
"resolution": 2.166,
"title": "My new test title",
"label": "My new test label"
},
{
"structure_id": 821398,
"experimentalMethodId": 104,
"resolution": 1.8800000000000001,
"title": "My test title",
"label": "My test label"
}
]