D3R Website REST service

This page describes the format of the REST service that CELPP needs to call to push evaluation results to D3R CELPP website.

Format of json:

{ 'json': { '<TARGET>': { '<ALIGNMENT TYPE>': <NUMERIC VALUE IN ANGSTROMS>},
            '<TARGET>': { '<ALIGNMENT TYPE>': <NUMERIC VALUE IN ANGSTROMS>},
            '<TARGET>': { '<ALIGNMENT TYPE>': <NUMERIC VALUE IN ANGSTROMS>},
          }
  'portal_name': 'd3r',
  'version': '<VERSION OF CELPP/D3R that generated these results ie 1.10.0>',
  'version_schrodinger': '<VERSION OF SCHRODINGER USED FOR EVALUATIONS'>,
  'source': '<SERVER THAT GENERATED RESULTS>',
  'submission_folder': '<SUBMISSION FOLDER WITH stage.# prefix AND .extsubmission SUFFIX REMOVED'>,
  'targets_user': '<number of target submitted by user>',
  'week': '<CELPP WEEK>',
  'year': '<YEAR>'
}

Example:

{ u'json': { u'5abc': { u'LMCSS': 1.51384731594441,
                        u'LMCSS_dis': 4.87215650336399,
                        u'LMCSS_ori': 1.2609252766598135,
                        u'SMCSS': 11.510622139248445,
                        u'SMCSS_dis': 2.339228580829059,
                        u'hiResHolo': 10.025805663718833,
                        u'hiResHolo_dis': 3.9568700577199225,
                        u'hiTanimoto': 1.222072606698116,
                        u'hiTanimoto_dis': 57.233675898186204},
             u'5def': { u'LMCSS': 2.5635342125264,
                        u'LMCSS_dis': 7.71454575262433,
                        u'LMCSS_ori': 7.34464653310567,
                        u'SMCSS': 7.77250370239089,
                        u'SMCSS_dis': 7.86962628658345,
                        u'hiResHolo': 2.034468574421517,
                        u'hiResHolo_dis': 2.902804312465094,
                        u'hiTanimoto': 7.58641089382886,
                        u'hiTanimoto_dis': 7.73814417271632},
  u'portal_name': u'd3r',
  u'version': '1.10.0',
  u'version_schrodinger': u'2016-2, Build 14',
  u'source': u'production',
  u'submission_folder': u'blahblah',
  u'targets_user': 22,
  u'week': 27,
  u'year': 2018}

The endpoint to post the above to:

https://localhost/api/1/d3r/celpp/rmsd

The api key should be passed in the header under X-API-KEY

After all submissions have been posted for a given week, POST to this end point:

https://localhost/api/1/d3r/celpp/week

The api key should be passed in the header under X-API-KEY

The data to post should be this:

{
  'portal_name': 'd3r',
  'version': '<VERSION OF CELPP/D3R that generated these results ie 1.10.0>',
  'source': '<SERVER THAT GENERATED RESULTS>',
  'targets': '<NUMBER OF TARGETS GENERATED BY BLASTNFILTER>,
  'week': '<CELPP WEEK>',
  'year': '<YEAR>'
}

Example:

{
  'portal_name': 'd3r',
  'version': '1.10.0',
  'source': 'tscc',
  'targets': 76,
  'week': 27,
  'year': 2018
}