Create StructureChecker Job
Creates a new StructureChecker job passing json data in body and returns json data about the location of the results.
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URL
https://proteins.plus/api/structurechecker_rest
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Method:
POST
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URL Params
None
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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".
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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: "" }
- Code: 200
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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." }
- Code: 400 BAD REQUEST
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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.
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URL
https://proteins.plus/api/structurechecker_rest/:id
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Method:
GET
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URL Params
Required:
id=[string]
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Data Params
None
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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: "" }
- Code: 200
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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." }
- Code: 400 BAD REQUEST
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Sample Call (curl):
curl https://proteins.plus/api/structurechecker_rest/ixenp5kLNHohrRbj56fbt4dd
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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)