curl --request POST \
--url https://public-api.revilico.bio/v1/engines/revtorsion/runs \
--header 'Authorization: Bearer <token>' \
--header 'Content-Type: application/json' \
--data '
{
"name": "C1-C2 torsion profile",
"parameters": {
"scan": {
"coordinate": "dihedral",
"atoms": [
1,
2,
3,
4
],
"start": -180,
"stop": 180,
"num": 25
}
},
"inputs": {
"structure": "file_…"
}
}
'{
"id": "<string>",
"engine": "<string>",
"name": "<string>",
"status": "queued",
"statusReason": "<string>",
"progress": 123,
"createdAt": "2023-11-07T05:31:56Z",
"startedAt": "2023-11-07T05:31:56Z",
"endedAt": "2023-11-07T05:31:56Z",
"budget": 123,
"creditsUsed": 123,
"error": {
"message": "<string>"
},
"links": {},
"warnings": [
"<string>"
]
}{
"error": {
"code": "VALIDATION_FAILED",
"message": "The request is malformed."
}
}{
"error": {
"code": "MISSING_CREDENTIALS",
"message": "The API key is missing or not valid."
}
}{
"error": {
"code": "INSUFFICIENT_CREDITS",
"message": "Your organization doesn't have enough credits."
}
}{
"error": {
"code": "INSUFFICIENT_SCOPE",
"message": "The key may not do this."
}
}{
"error": {
"code": "NOT_FOUND",
"message": "Not found, or not visible to you."
}
}{
"error": {
"code": "INVALID_PARAMETERS",
"message": "The parameters or input files don't fit the engine."
}
}{
"error": {
"code": "INTERNAL_ERROR",
"message": "Something went wrong on our side."
}
}{
"error": {
"code": "ENGINE_SUBMIT_FAILED",
"message": "The engine service rejected or failed the request."
}
}Start a RevTorsion run
Relaxed scans of a bond, angle or dihedral: the energy profile across a grid, each point optimised with the coordinate held fixed.
Starts a run and returns it with status queued; poll GET /v1/runs/ until it finishes. Runs spend credits.
Limits: maxGridPoints: 30, maxAtoms: 200, maxConstraints: 10.
How the engine works and how to read its results: RevTorsion documentation.
Scope: runs:write.
curl --request POST \
--url https://public-api.revilico.bio/v1/engines/revtorsion/runs \
--header 'Authorization: Bearer <token>' \
--header 'Content-Type: application/json' \
--data '
{
"name": "C1-C2 torsion profile",
"parameters": {
"scan": {
"coordinate": "dihedral",
"atoms": [
1,
2,
3,
4
],
"start": -180,
"stop": 180,
"num": 25
}
},
"inputs": {
"structure": "file_…"
}
}
'{
"id": "<string>",
"engine": "<string>",
"name": "<string>",
"status": "queued",
"statusReason": "<string>",
"progress": 123,
"createdAt": "2023-11-07T05:31:56Z",
"startedAt": "2023-11-07T05:31:56Z",
"endedAt": "2023-11-07T05:31:56Z",
"budget": 123,
"creditsUsed": 123,
"error": {
"message": "<string>"
},
"links": {},
"warnings": [
"<string>"
]
}{
"error": {
"code": "VALIDATION_FAILED",
"message": "The request is malformed."
}
}{
"error": {
"code": "MISSING_CREDENTIALS",
"message": "The API key is missing or not valid."
}
}{
"error": {
"code": "INSUFFICIENT_CREDITS",
"message": "Your organization doesn't have enough credits."
}
}{
"error": {
"code": "INSUFFICIENT_SCOPE",
"message": "The key may not do this."
}
}{
"error": {
"code": "NOT_FOUND",
"message": "Not found, or not visible to you."
}
}{
"error": {
"code": "INVALID_PARAMETERS",
"message": "The parameters or input files don't fit the engine."
}
}{
"error": {
"code": "INTERNAL_ERROR",
"message": "Something went wrong on our side."
}
}{
"error": {
"code": "ENGINE_SUBMIT_FAILED",
"message": "The engine service rejected or failed the request."
}
}Authorizations
An API key from the web app (Settings → Developer), sent as Authorization: Bearer rvl_live_….
Body
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A name for the run, shown in the web app.
200Most credits the run may spend; it is stopped beyond that.
Add the run to this project (proj_…); needs editor or owner on it.
Response
OK
Run id, run_….
Engine slug, e.g. revredox.
queued until the engine picks the run up; succeeded, failed and cancelled are final.
queued, running, succeeded, failed, cancelled Why a cancelled run stopped: user, insufficient_credits or budget_exceeded. Null otherwise.
Progress the engine reports; 0 until it reports any.
Most credits the run may spend, if one was set.
Credits charged to the run so far.
Set when status is failed.
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Related endpoints: self, inputs, results, outputs, files.
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Set when the run was created but a follow-up step, such as adding it to a project, failed.