> ## Documentation Index > Fetch the complete documentation index at: https://docs.revilico.bio/llms.txt > Use this file to discover all available pages before exploring further. # Start a RevStrain run > Conformational strain of ligand poses: the energy of each restrained-relaxed pose above its global minimum. Starts a run and returns it with status `queued`; poll GET /v1/runs/{runId} until it finishes. Runs spend credits. **Limits:** `maxPoses`: 50, `maxAtomsPerPose`: 200. How the engine works and how to read its results: [RevStrain documentation](/docs/revstrain). **Scope:** `runs:write`. ## OpenAPI ````yaml /api-reference/openapi.json post /v1/engines/revstrain/runs openapi: 3.1.0 info: title: Revilico API version: 1.0.0 description: >- Run Revilico's computational chemistry and biology engines from your own code: upload input files, start runs, follow them and read their results. servers: - url: https://public-api.revilico.bio security: - bearerAuth: [] tags: - name: Account description: Who you are, your credits and what your runs have used. - name: Engines description: The engines you can run, their parameter schemas and examples. - name: Files description: 'Upload input files: create an upload, then PUT the bytes.' - name: Runs description: Start, follow and cancel engine runs. - name: Results and outputs description: 'Read what a run produced: results, files and outputs.' - name: Projects description: Group runs into the projects you see in the web app. - name: Engine runs description: >- Start a run of one engine, with that engine's parameters and input files. Same endpoint as **Start a run**. - name: Health description: Service status. Needs no API key. paths: /v1/engines/revstrain/runs: post: tags: - Engine runs summary: Start a RevStrain run description: >- Conformational strain of ligand poses: the energy of each restrained-relaxed pose above its global minimum. Starts a run and returns it with status `queued`; poll GET /v1/runs/{runId} until it finishes. Runs spend credits. **Limits:** `maxPoses`: 50, `maxAtomsPerPose`: 200. How the engine works and how to read its results: [RevStrain documentation](/docs/revstrain). **Scope:** `runs:write`. operationId: engineRuns.revstrain requestBody: required: true content: application/json: schema: type: object properties: name: description: A name for the run, shown in the web app. type: string maxLength: 200 parameters: type: object properties: settings: default: {} type: object properties: conformer_generation: default: {} type: object properties: generator: default: etkdg description: >- etkdg (RDKit, fast) or imtd (CREST metadynamics, thorough, slower). type: string enum: - etkdg - imtd etkdg: default: {} type: object properties: num_initial_confs: type: integer minimum: 1 maximum: 5000 num_confs_considered: type: integer minimum: 1 maximum: 2000 max_mmff_iterations: type: integer minimum: 1 maximum: 10000 max_mmff_energy: anyOf: - type: number minimum: 0 maximum: 200 - type: 'null' max_confs: anyOf: - type: integer minimum: 1 maximum: 500 - type: 'null' rmsd_threshold: type: number minimum: 0 maximum: 3 prescreen_method: anyOf: - type: string enum: - gfn_ff - gfn0_xtb - gfn1_xtb - gfn2_xtb - type: 'null' seed: type: integer minimum: -9007199254740991 maximum: 9007199254740991 additionalProperties: false imtd: default: {} type: object properties: mtd_method: type: string enum: - gfn_ff - gfn0_xtb - gfn1_xtb - gfn2_xtb mtd_runtype: type: string enum: - imtd-gc - imtd-smtd speed: type: string enum: - megaquick - superquick - quick - normal - extensive reopt: type: boolean nci: type: boolean energy_window: anyOf: - type: number minimum: 0 maximum: 100 - type: 'null' max_confs: anyOf: - type: integer minimum: 1 maximum: 500 - type: 'null' additionalProperties: false additionalProperties: false multistage_opt: default: {} type: object properties: mode: default: rapid description: >- Optimisation preset: reckless (GFN-FF), rapid (g-xTB//GFN2-xTB), careful, meticulous; manual builds the stages from optimization_steps. type: string enum: - reckless - rapid - careful - meticulous - manual solvent: default: water type: string enum: - none - water - methanol - ethanol - acetonitrile - acetone - dmso - chcl3 - ch2cl2 - thf - toluene - benzene - hexane - octanol - ether optimization_steps: description: >- manual mode only: 1-4 optimisation stages, in order. minItems: 1 maxItems: 4 type: array items: type: object properties: method: type: string enum: - gfn_ff - gfn0_xtb - gfn1_xtb - gfn2_xtb - g_xtb required: - method additionalProperties: false final_singlepoint: anyOf: - type: object properties: method: type: string enum: - gfn_ff - gfn0_xtb - gfn1_xtb - gfn2_xtb - g_xtb required: - method additionalProperties: false - type: 'null' additionalProperties: false restraint: default: {} type: object properties: spring_constant: default: 5 type: number minimum: 0.1 maximum: 100 constrain_hydrogens: default: false type: boolean additionalProperties: false optimization: default: {} type: object properties: force_tolerance: default: 0.005 type: number minimum: 0.001 maximum: 1 max_steps: default: 1500 type: integer minimum: 10 maximum: 5000 additionalProperties: false temperature: default: 300 description: Kelvin. type: number minimum: 1 maximum: 1000 charge: default: null description: >- null reads each pose's own charge; only XYZ input needs it. anyOf: - type: integer minimum: -10 maximum: 10 - type: 'null' multiplicity: default: 1 type: integer minimum: 1 maximum: 11 additionalProperties: false additionalProperties: false inputs: type: object properties: structure: type: string description: >- Poses: SDF/MOL/XYZ/PDB with 3D coordinates (a multi-record SDF holds several), or CSV/SMI of SMILES. Up to 50 poses. A file id (`file_…`). Formats: sdf, mol, xyz, pdb, csv, smi; up to 25 MB. required: - structure additionalProperties: false budget: description: Most credits the run may spend; it is stopped beyond that. type: number exclusiveMinimum: 0 projectId: description: >- Add the run to this project (`proj_…`); needs editor or owner on it. type: string required: - inputs additionalProperties: false examples: defaults: summary: >- Strain of docked poses: ETKDG conformer search, rapid g-xTB//GFN2-xTB in water. value: name: Pose strain (defaults) parameters: {} inputs: structure: file_… thorough: summary: >- CREST iMTD conformer search with the careful preset, gas phase. value: parameters: settings: conformer_generation: generator: imtd imtd: speed: normal multistage_opt: mode: careful solvent: none inputs: structure: file_… responses: '202': description: OK content: application/json: schema: $ref: '#/components/schemas/Run' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '402': $ref: '#/components/responses/402' '403': $ref: '#/components/responses/403' '404': $ref: '#/components/responses/404' '422': $ref: '#/components/responses/422' '500': $ref: '#/components/responses/500' '502': $ref: '#/components/responses/502' components: schemas: Run: type: object properties: id: type: string description: Run id, `run_…`. engine: type: string description: Engine slug, e.g. `revredox`. name: type: - string - 'null' status: type: string enum: - queued - running - succeeded - failed - cancelled description: >- queued until the engine picks the run up; succeeded, failed and cancelled are final. statusReason: description: >- Why a cancelled run stopped: `user`, `insufficient_credits` or `budget_exceeded`. Null otherwise. type: - string - 'null' progress: type: number description: Progress the engine reports; 0 until it reports any. createdAt: type: string format: date-time startedAt: anyOf: - type: string format: date-time - type: 'null' endedAt: anyOf: - type: string format: date-time - type: 'null' budget: description: Most credits the run may spend, if one was set. type: - number - 'null' creditsUsed: type: number description: Credits charged to the run so far. error: anyOf: - type: object properties: message: type: string required: - message - type: 'null' description: Set when status is failed. links: type: object propertyNames: type: string additionalProperties: type: string description: 'Related endpoints: self, inputs, results, outputs, files.' warnings: description: >- Set when the run was created but a follow-up step, such as adding it to a project, failed. type: array items: type: string required: - id - engine - name - status - statusReason - progress - createdAt - startedAt - endedAt - budget - creditsUsed - error - links Error: type: object properties: error: type: object properties: code: type: string enum: - VALIDATION_FAILED - INVALID_ID - INVALID_PARAMETERS - INPUT_LIMIT_EXCEEDED - NOT_FOUND - FORBIDDEN - METHOD_NOT_ALLOWED - CONFLICT - PAYLOAD_TOO_LARGE - MISSING_CREDENTIALS - INVALID_CREDENTIALS - WRONG_ENVIRONMENT - CREDENTIALS_EXPIRED - CREDENTIALS_REVOKED - ACCOUNT_INACTIVE - API_ACCESS_NOT_ENABLED - INSUFFICIENT_SCOPE - SESSION_REQUIRED - TOO_MANY_AUTH_FAILURES - API_KEY_LIMIT_REACHED - ENGINE_NOT_ENABLED - DOCS_NOT_AVAILABLE - INSUFFICIENT_CREDITS - RUN_NOT_COMPLETE - ENGINE_SUBMIT_FAILED - RATE_LIMITED - SERVICE_UNAVAILABLE - INTERNAL_ERROR description: Stable within /v1; branch on this, not on the message. message: type: string description: Readable explanation, for people. details: description: >- Extra context, e.g. `issues` ({ path, message }[]) for validation errors. type: object propertyNames: type: string additionalProperties: {} required: - code - message required: - error responses: '400': description: >- The request is malformed. `error.code` is one of `VALIDATION_FAILED`, `INVALID_ID`. content: application/json: schema: $ref: '#/components/schemas/Error' example: error: code: VALIDATION_FAILED message: The request is malformed. '401': description: >- The API key is missing or not valid. `error.code` is one of `MISSING_CREDENTIALS`, `INVALID_CREDENTIALS`, `WRONG_ENVIRONMENT`, `CREDENTIALS_EXPIRED`, `CREDENTIALS_REVOKED`. content: application/json: schema: $ref: '#/components/schemas/Error' example: error: code: MISSING_CREDENTIALS message: The API key is missing or not valid. '402': description: >- Your organization doesn't have enough credits. `error.code` is one of `INSUFFICIENT_CREDITS`. content: application/json: schema: $ref: '#/components/schemas/Error' example: error: code: INSUFFICIENT_CREDITS message: Your organization doesn't have enough credits. '403': description: >- The key may not do this. `error.code` is one of `INSUFFICIENT_SCOPE`, `API_ACCESS_NOT_ENABLED`, `ENGINE_NOT_ENABLED`, `ACCOUNT_INACTIVE`, `FORBIDDEN`. content: application/json: schema: $ref: '#/components/schemas/Error' example: error: code: INSUFFICIENT_SCOPE message: The key may not do this. '404': description: Not found, or not visible to you. `error.code` is one of `NOT_FOUND`. content: application/json: schema: $ref: '#/components/schemas/Error' example: error: code: NOT_FOUND message: Not found, or not visible to you. '422': description: >- The parameters or input files don't fit the engine. `error.code` is one of `INVALID_PARAMETERS`, `INPUT_LIMIT_EXCEEDED`. content: application/json: schema: $ref: '#/components/schemas/Error' example: error: code: INVALID_PARAMETERS message: The parameters or input files don't fit the engine. '500': description: >- Something went wrong on our side. `error.code` is one of `INTERNAL_ERROR`. content: application/json: schema: $ref: '#/components/schemas/Error' example: error: code: INTERNAL_ERROR message: Something went wrong on our side. '502': description: >- The engine service rejected or failed the request. `error.code` is one of `ENGINE_SUBMIT_FAILED`. content: application/json: schema: $ref: '#/components/schemas/Error' example: error: code: ENGINE_SUBMIT_FAILED message: The engine service rejected or failed the request. securitySchemes: bearerAuth: type: http scheme: bearer description: >- An API key from the web app (**Settings → Developer**), sent as `Authorization: Bearer rvl_live_…`. ```` This documentation is built and hosted on [Mintlify](https://mintlify.com), a developer documentation platform.