Create StructureChecker Job

  Creates a new StructureChecker job passing json data in body and returns json data about the location of the results.

• URL

  https://proteins.plus/api/structurechecker_rest

• Method:

  POST

• URL Params

  None

• Data Params

  Required:
  

  
            structurechecker=[hash] - Contains the following parameters:
  
            pdbCode=[string] - Select a structure form the Protein Data Bank (PDB) via its PDB code.
  
            setting=[string] - Set "astex", "iridium", "platinum" or "combined".
          

• Success Response:

  • Code: 200
    Content: { status_code: 200, location: "", message: "Job already exists" }

  OR

  • Code: 202
    Content: { status_code: 202, message: "The job will be created in the specified location", location: "" }

  OR

  • Code: 202
    Content: { status_code: 202, message: "Job exists and is still in 'processing' state", location: "" }



• Error Response:

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "Parameter values must be strings" }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "Invalid number of parameters or incorrect parameter name" }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "Invalid pdbCode" }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "Invalid setting" }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "No electron density file available." }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "No calculation results available." }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "Error in StructureProfiler calculation. Please try again later." }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "Job saving error" }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "Job loading error" }

  OR

  • Code: 429 TOO MANY REQUESTS
    Content: { status_code: 429, error: "Too Many Requests", message: "Throttle limit reached. Retry later." }



• Sample Data:

  {
              "structurechecker": {
              "pdbCode":"1kzk",
              "setting":"combined"}
            }
           

  Sample Call (curl):

  
            curl -d '{"structurechecker": {"pdbCode":"1kzk","setting":"combined"}}' -H "Accept: application/json" -H "Content-Type: application/json" -X POST https://proteins.plus/api/structurechecker_rest
          

 Show StructureChecker Job

  Returns json data about a single StructureChecker job.

• URL

  https://proteins.plus/api/structurechecker_rest/:id

• Method:

  GET

• URL Params

  Required:

  id=[string]

• Data Params

  None

• Success Response:

  • Code: 200
    Content: { status_code: 200, complex: "", activesite: "", ligands: "", smarts: "", hetcode: "", config: "" }

  OR

  • Code: 202
    Content: { status_code: 202, message: "Job exists and is still in 'processing' state", location: "" }



• Error Response:

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "Job loading error" }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "No electron density file available." }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "No calculation results available." }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "Error in StructureProfiler calculation. Please try again later." }

  OR

  • Code: 404 NOT FOUND
    Content: { status_code: 404, error: "Not Found", message: "Invalid ID" }

  OR

  • Code: 429 TOO MANY REQUESTS
    Content: { status_code: 429, error: "Too Many Requests", message: "Throttle limit reached. Retry later." }
  
  

• Sample Call (curl):

  
            curl https://proteins.plus/api/structurechecker_rest/ixenp5kLNHohrRbj56fbt4dd
          

• Output:

  
  complex - overall screening results for the protein complex (CSV-file)
  
  activesite - table of results of screening tests on the different active sites (one per column), overall results in row "Tests" (CSV-file)
  
  ligands - table of results of screening tests on the different ligands (one per column), overall results in row "Tests" (CSV-file)
  
  smarts - list of SMARTS expressions that have to be included (must match one)/excluded (must not match any) in the filtered ligands (LST-file)
  
  hetcode - list of HET codes that must not be matched by a ligand to pass the screening (LST-file)
  
  config - overview of which tests are active and their used parameters, separate for the ActiveSite, Complex and Ligand tests (CONFIG-file)