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websdf

Django and RDKit based interactive web SDF viewer

TODO

  • Select recalculate 2D coordinates
  • Select recalculate 3D coordinates
  • Select calculate descriptors (MW, logP, HBA, HBD, HAC, clogSw)
  • Select&add 3D view (ChemDoodle)
  • Show/hide columns
  • Show/hide rows
  • 404.html
  • round numerical fields to 2 decimals
  • Choose rendering (ChemDoodle canvas or png)
  • Define image/canvas size
  • Add license
  • Document deployment
  • Generate class names in python