{"openapi":"3.1.0","info":{"title":"MOLE API","description":"Computation of channels, tunnels and pores in biomacromolecules with MOLE 2.5.\n\n* **v2** – recommended REST interface (`/v2/...`), asynchronous jobs, server-sent events.\n* **legacy** – endpoints compatible with the original api.mole.upol.cz (used by MOLEonline).\n\nAll computations run asynchronously in isolated workers with time and memory limits.","version":"2.0.0"},"paths":{"/v2/computations":{"post":{"tags":["v2"],"summary":"Create a computation from a PDB entry","operationId":"create_v2_computations_post","requestBody":{"content":{"application/json":{"schema":{"$ref":"#/components/schemas/NewComputation"}}},"required":true},"responses":{"202":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/v2/computations/upload":{"post":{"tags":["v2"],"summary":"Create a computation from an uploaded file","operationId":"upload_v2_computations_upload_post","requestBody":{"content":{"multipart/form-data":{"schema":{"$ref":"#/components/schemas/Body_upload_v2_computations_upload_post"}}},"required":true},"responses":{"202":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/v2/computations/{cid}":{"get":{"tags":["v2"],"summary":"Computation detail incl. all jobs","operationId":"get_v2_computations__cid__get","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}},"delete":{"tags":["v2"],"summary":"Delete a computation (stops a running job, removes data)","operationId":"remove_v2_computations__cid__delete","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/v2/computations/{cid}/jobs":{"post":{"tags":["v2"],"summary":"Start a MOLE or Pores job","operationId":"submit_v2_computations__cid__jobs_post","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}}],"requestBody":{"required":true,"content":{"application/json":{"schema":{"$ref":"#/components/schemas/NewJob"}}}},"responses":{"202":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/v2/computations/{cid}/jobs/{job_id}":{"get":{"tags":["v2"],"summary":"Job status","operationId":"job_v2_computations__cid__jobs__job_id__get","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}},{"name":"job_id","in":"path","required":true,"schema":{"type":"integer","title":"Job Id"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}},"delete":{"tags":["v2"],"summary":"Cancel a queued or running job","operationId":"cancel_v2_computations__cid__jobs__job_id__delete","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}},{"name":"job_id","in":"path","required":true,"schema":{"type":"integer","title":"Job Id"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/v2/computations/{cid}/jobs/{job_id}/events":{"get":{"tags":["v2"],"summary":"Server-sent events with status changes","description":"Streams `status` events until the job finishes (replaces polling).","operationId":"events_v2_computations__cid__jobs__job_id__events_get","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}},{"name":"job_id","in":"path","required":true,"schema":{"type":"integer","title":"Job Id"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/v2/computations/{cid}/jobs/{job_id}/files/{fmt}":{"get":{"tags":["v2"],"summary":"Download results","operationId":"files_v2_computations__cid__jobs__job_id__files__fmt__get","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}},{"name":"job_id","in":"path","required":true,"schema":{"type":"integer","title":"Job Id"}},{"name":"fmt","in":"path","required":true,"schema":{"enum":["json","report","pymol","chimera","vmd","pdb","molecule","membrane"],"type":"string","title":"Fmt"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/v2/status":{"get":{"tags":["v2"],"summary":"Public service status (queue lengths, versions)","operationId":"service_status_v2_status_get","responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}}}}},"/init/pores/{pdb_id}":{"get":{"tags":["legacy (v1-compatible)"],"summary":"Init Pores","operationId":"init_pores_init_pores__pdb_id__get","parameters":[{"name":"pdb_id","in":"path","required":true,"schema":{"type":"string","title":"Pdb Id"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/init/{pdb_id}":{"get":{"tags":["legacy (v1-compatible)"],"summary":"Init Pdb","operationId":"init_pdb_init__pdb_id__get","parameters":[{"name":"pdb_id","in":"path","required":true,"schema":{"type":"string","title":"Pdb Id"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/init":{"post":{"tags":["legacy (v1-compatible)"],"summary":"Init Upload","operationId":"init_upload_init_post","requestBody":{"content":{"multipart/form-data":{"schema":{"$ref":"#/components/schemas/Body_init_upload_init_post"}}},"required":true},"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/submit/mole/{cid}":{"post":{"tags":["legacy (v1-compatible)"],"summary":"Submit Mole","operationId":"submit_mole_submit_mole__cid__post","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/submit/pores/{cid}":{"post":{"tags":["legacy (v1-compatible)"],"summary":"Submit Pores","operationId":"submit_pores_submit_pores__cid__post","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/status/{cid}":{"get":{"tags":["legacy (v1-compatible)"],"summary":"Status","operationId":"status_status__cid__get","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/compinfo/{cid}":{"get":{"tags":["legacy (v1-compatible)"],"summary":"Compinfo","operationId":"compinfo_compinfo__cid__get","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/data/{cid}":{"get":{"tags":["legacy (v1-compatible)"],"summary":"Data","operationId":"data_data__cid__get","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/csa/{cid}":{"get":{"tags":["legacy (v1-compatible)"],"summary":"Csa","operationId":"csa_csa__cid__get","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/version":{"get":{"tags":["legacy (v1-compatible)"],"summary":"Version","operationId":"version_version_get","responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}}}}},"/kill/{cid}":{"get":{"tags":["legacy (v1-compatible)"],"summary":"Kill","operationId":"kill_kill__cid__get","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/delete/{cid}":{"get":{"tags":["legacy (v1-compatible)"],"summary":"Delete","operationId":"delete_delete__cid__get","parameters":[{"name":"cid","in":"path","required":true,"schema":{"type":"string","title":"Cid"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/ebi/{pdb_id}":{"get":{"tags":["legacy (v1-compatible)"],"summary":"Ebi","operationId":"ebi_ebi__pdb_id__get","parameters":[{"name":"pdb_id","in":"path","required":true,"schema":{"type":"string","title":"Pdb Id"}}],"responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}},"422":{"description":"Validation Error","content":{"application/json":{"schema":{"$ref":"#/components/schemas/HTTPValidationError"}}}}}}},"/__mail":{"post":{"tags":["legacy (v1-compatible)"],"summary":"Mail","operationId":"mail___mail_post","responses":{"200":{"description":"Successful Response","content":{"application/json":{"schema":{}}}}}}}},"components":{"schemas":{"Body_init_upload_init_post":{"properties":{"file":{"type":"string","format":"binary","title":"File"}},"type":"object","required":["file"],"title":"Body_init_upload_init_post"},"Body_upload_v2_computations_upload_post":{"properties":{"file":{"type":"string","format":"binary","title":"File"}},"type":"object","required":["file"],"title":"Body_upload_v2_computations_upload_post"},"HTTPValidationError":{"properties":{"detail":{"items":{"$ref":"#/components/schemas/ValidationError"},"type":"array","title":"Detail"}},"type":"object","title":"HTTPValidationError"},"NewComputation":{"properties":{"pdb_id":{"type":"string","title":"Pdb Id","description":"PDB ID","examples":["1tqn"]},"assembly_id":{"anyOf":[{"type":"string"},{"type":"null"}],"title":"Assembly Id","description":"Biological assembly name; null = asymmetric unit"},"preferred_assembly":{"type":"boolean","title":"Preferred Assembly","description":"Use the PDBe preferred assembly (recommended for Pores)","default":false}},"type":"object","required":["pdb_id"],"title":"NewComputation"},"NewJob":{"properties":{"type":{"type":"string","enum":["mole","pores"],"title":"Type","default":"mole"},"params":{"additionalProperties":true,"type":"object","title":"Params","description":"MOLE: same structure as the legacy /Submit/Mole body (Input, Cavity, Tunnel, Origin, CustomExits, ...). Pores: InMembrane, IsBetaBarel, Chains, InteriorThreshold, ProbeRadius."}},"type":"object","title":"NewJob"},"ValidationError":{"properties":{"loc":{"items":{"anyOf":[{"type":"string"},{"type":"integer"}]},"type":"array","title":"Location"},"msg":{"type":"string","title":"Message"},"type":{"type":"string","title":"Error Type"}},"type":"object","required":["loc","msg","type"],"title":"ValidationError"}}}}