NLeSC/MAGMa

Issues

• Make MAGMa web python3 compatible

  #255 opened 6 years ago by ridderl
  1

• Update documentation about pubchem processing

  #254 opened 7 years ago by ridderl
  0

• Implement online service for retrieving candidate molecules by magma job

  #249 opened 7 years ago by ridderl
  0

• MAGMa light

  #250 opened 7 years ago by ridderl
  0

• Check if current RDkit handles smirks correctly, and if so, implement

  #239 opened 10 years ago by ridderl
  2

• cleanup / annotate job code

  #244 opened 10 years ago by ridderl
  0

• Add tests for magma job code

  #241 opened 10 years ago by ridderl
  0

• Make MAGMa open source

  #234 opened 10 years ago by sverhoeven
  4

• Cleanup jobs

  #236 opened 10 years ago by sverhoeven
  2

• Add inchikey14 and smiles column to molecule model

  #242 opened 10 years ago by sverhoeven
  2

• Metabolize options as editable grid as scenario

  #210 opened 10 years ago by sverhoeven
  34

• Add login button to public website which shows login page, benefits and how to request access

  #235 opened 10 years ago by sverhoeven
  2

• Log correct number of spectral trees in case of multiple precursors per scan (annotate)

  #243 opened 10 years ago by ridderl
  0

• Show green triangles in Level 1 scan also when no candidate molecule is selected

  #212 opened 10 years ago by ridderl
  32

• Remove requirement of commas before newlines in tree data format

  #245 opened 10 years ago by ridderl
  0

• User management script for magma web

  #232 opened 10 years ago by ridderl
  2

• Standardized names

  #237 opened 10 years ago by sverhoeven
  3

• Merge metab_network branch to master

  #238 opened 10 years ago by sverhoeven
  1

• Add pubchem name/reference to all molecules

  #240 opened 10 years ago by sverhoeven
  0

• Lookup PubChem names/references for uploaded compounds and predicted metabolites

  #227 opened 10 years ago by ridderl
  0

• Option to include halogenated compounds from databases

  #228 opened 10 years ago by ridderl
  0

• Document routes with expected request and example response

  #189 opened 10 years ago by sverhoeven
  1

• Job failes with 'SSL3_GET_SERVER_CERTIFICATE:certificate verify failed'

  #233 opened 10 years ago by sverhoeven
  2

• help documentation update with ms and metabolize settings, reactions column

  #225 opened 11 years ago by sverhoeven
  2

• Resolve peaks with identical m/z in one scan in read_ms_data

  #231 opened 11 years ago by ridderl
  0

• Improve feedback of failed jobs

  #229 opened 11 years ago by ridderl
  6

• In case of multiple scans of the same precursor ion generate composite spectrum

  #222 opened 11 years ago by ridderl
  5

• make cactvs location configurable in config file

  #226 opened 11 years ago by sverhoeven
  1

• Callback url option for metabolize

  #223 opened 11 years ago by ridderl
  0

• Callback url option for read_ms_data

  #224 opened 11 years ago by ridderl
  0

• Do not combine links in Reactions column with other filters

  #221 opened 11 years ago by ridderl
  1

• Modify Reactions column in molecules grid

  #208 opened 11 years ago by ridderl
  7

• Enable metabolize options on homepage

  #209 opened 11 years ago by sverhoeven
  1

• Allow entering MS2 scan numbers (as well as MS1)

  #220 opened 11 years ago by ridderl
  0

• Remove automatic selection of a single scan

  #219 opened 11 years ago by ridderl
  1

• Ask for login when linking to a results file

  #213 opened 11 years ago by ridderl
  0

• Implement scenario into magma job interface

  #211 opened 11 years ago by ridderl
  0

• Remove "Generate metabolite options" from information panel

  #216 opened 11 years ago by ridderl
  0

• Add filter on metabolite id

  #207 opened 11 years ago by sverhoeven
  0

• Export of metabolites to SDF doesn't work anymore?

  #215 opened 11 years ago by ridderl
  0

• Zooming in Y-direction fails

  #205 opened 11 years ago by ridderl
  0

• Increase timeout of joblauncher so big jobs can finish

  #206 opened 11 years ago by sverhoeven
  1

• Kill jobs online

  #187 opened 11 years ago by ridderl
  4

• Queuing status

  #188 opened 11 years ago by ridderl
  2

• Switch joblauncher from JavaGAT backend to Xenon backend

  #192 opened 11 years ago by sverhoeven
  2

• Add publication

  #203 opened 11 years ago by sverhoeven
  0

• Change default intensity thresholds

  #201 opened 11 years ago by ridderl
  1

• new WebTest python package make functional tests fail

  #196 opened 11 years ago by sverhoeven
  0

• Structure popups fail in Google Chrome

  #193 opened 11 years ago by ridderl
  2

• Creat client to run a MAGMA calculation from the command line via the web application.

  #190 opened 12 years ago by sverhoeven
  6