Create DoGSite3 Job

  Creates a new DoGSite3 job passing json data in body and returns json data about the location of the results.

• URL

  https://proteins.plus/api/dogsite3_rest

• Method:

  POST

• URL Params

  None

• Data Params

  Required:
  

  
              dogsite3=[hash] - Contains the following parameters:
  
              pdbCode=[string] - Select a structure form the Protein Data Bank (PDB) via its PDB code.
  
              analysisDetail=[string] - Set "0" for pocket(s) or "1" for pocket(s) and subpocket(s).
  
              bindingSitePredictionGranularity=[string] - Set "0" for properties or "1" for properties and druggability.
  
              ligand=[string] - Set a ligand with respect to specified pdbCode in the format "residue_name"_"residue_chain"_"residue_number" or "".
  
              chain=[string] - Set a chain or "" for all chains with respect to specified pdbCode.
  
              ligandBias=[string] - Set "1" if the grid shall be biased by the coordinates of the selected reference ligand or "0" if not.
          

• 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 analysisDetail" }

  OR

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

  OR

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

  OR

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

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "Error during DoGSite3 calculation. Try again in a few minutes." }

  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:

  {
              "dogsite3": {
              "pdbCode":"1kzk",
              "analysisDetail":"1",
              "bindingSitePredictionGranularity":"0",
              "ligand":"",
              "chain":"",
              "ligandBias":"0"}
              }
          

  Sample Call (curl):

  
              curl -d '{
              "dogsite3": {
              "pdbCode":"1kzk",
              "analysisDetail":"1",
              "bindingSitePredictionGranularity":"0",
              "ligand":"JE2_A_701",
              "chain":"",
              "ligandBias":"0"}
              }' -H "Accept: application/json" -H "Content-Type: application/json" -X POST https://proteins.plus/api/dogsite3_rest
          

 Show DoGSite3 Job

  Returns json data about a single DoGSite3 job.

• URL

  https://proteins.plus/api/dogsite3_rest/:id

• Method:

  GET

• URL Params

  Required:

  id=[string]

• Data Params

  None

• Success Response:

  • Code: 200
    Content: { status_code: 200, result_table: "", residues: ["","",...], pockets: ["","",...], descriptor_explanation: "", parameters: "" }

  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: "Error during DoGSite3 calculation. Try again in a few minutes." }

  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/dogsite3_rest/ixenp5kLNHohrRbj56fbt4dd
          

• Output:

  
  result_table - main result, pockets/subpockets and their properties (TXT-file)
  
  residues - structure of relevant residues (list of PDB-files)
  
  pockets - electron densities of found pockets (list of CCP4-files)
  
  descriptor_explanation - explanations for descriptors used in the result_table (TXT-file)
  
  parameters - the values of parameters used for this request