Create METALizer Job

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

• URL

  https://proteins.plus/api/metalizer_rest

• Method:

  POST

• URL Params

  None

• Data Params

  Required:
  

  
              metalizer=[hash] - Contains the following parameters:
  
              pdbCode=[string] - Select a structure form the Protein Data Bank (PDB) via its PDB code.
  
              metalatom=[string] - Valid metal atom with respect to the specified pdbCode.
  
              cutoff=[string] - Cutoff must range between 0.0 and 0.5 with step size 0.1.
  
              metalligand=[string] - Valid metal ligand with respect to specified pdbCode or "".
  
              execute_siena=[string] - Calculate SIENA ensemble with similar metal binding sites, set "true" or "".
  
              execute_edia=[string] - Calculate EDIA scores, set "true" or "".
  
              siena_automatic_cutoff=[string] -  Set distance cutoff automatically, set "true" or "false" (only possible if execute_siena is set to "true").
  
              crystallographic_symmetry=[string] - Consider crystal contacts, set "true" or "false".
          

• 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 metalatom" }

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "cutoff must be a float and range between 0.0 and 0.5 with step size 0.1" }

  OR

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

  OR

  • Code: 400 BAD REQUEST
    Content: { status_code: 400, error: "Bad Request", message: "execute_siena and execute_edia must be true or false" }

  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:

  {
              "metalizer": {
              "pdbCode":"1a3n",
              "metalatom":"[HEM]147:B.FE",
              "cutoff":"2.8",
              "metalligand":"HEM_D_147",
              "execute_siena":"false",
              "execute_edia":"false",
              "siena_automatic_cutoff":"false",
              "crystallographic_symmetry":"false"}
              }
          

  Sample Call (curl):

  
              curl -d '{
              "metalizer": {
              "pdbCode":"1a3n",
              "metalatom":"[HEM]147:D.FE",
              "cutoff":"2.8",
              "metalligand":"HEM_D_147",
              "execute_siena":"false",
              "execute_edia":"false",
              "siena_automatic_cutoff":"false",
              "crystallographic_symmetry":"false"}
              }' -H "Accept: application/json" -H "Content-Type: application/json" -X POST https://proteins.plus/api/metalizer_rest
          

 Show METALizer Job

  Returns json data about a single METALizer job.

• URL

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

• Method:

  GET

• URL Params

  Required:

  id=[string]

• Data Params

  None

• Success Response:

  • Code: 200
    Content: { status_code: 200, metalizer_results: "", metalizer_geometry_stats: "", metalizer_distance_stats: "", metalizer_siena_results: "", edia_table: ""}

  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: 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/metalizer_rest/ixenp5kLNHohrRbj56fbt4dd
              

• Output:

  
  metalizer_results -
  
  metalizer_geometry_stats -
  
  metalizer_distance_stats -
                
  metalizer_siena_results -
  
  edia_table -