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@sg-s sg-s commented Nov 21, 2025

changes

  • remove references to workstations (in installation)
  • remove references to workstations (in config)
  • remove references to workstations (in auth)
  • getting started > input data has some weird formatting
  • docking > get results removed, get_poses
  • docking > scatter plot of all poses
  • docking > show composite job widget
  • docking > composite job widget is animated
  • abfe > update job widget
  • abfe > job control section needs to be moved elsewhere (how to > job control)
  • abfe > view trajectories
  • complex preparation params (padding)
  • add a warning about loop modelling (in development)
  • protein > discourage saving to pdb in common use cases
  • ligandset > update display (no longer shows a dataframe)
  • ligandset > add warning about konnektor
  • find pockets > add info about each pokcet and inspecting pocket data
  • find pockets > add info about making pockets from other sources
  • dock ligands > add ligandset widget showing poses
  • dock ligands > add warning about constrained docking
  • filter outputs of docking --> needs a total overhaul
  • job control -- needs to be updated with JobList
  • clarify which methods modify state in Ligand or Protein
  • clarify how we can get the org key from the UI
  • docking > residue ID
  • add a "concepts" page

@sg-s sg-s requested a review from a team as a code owner November 21, 2025 14:22
@sg-s sg-s self-assigned this Nov 21, 2025
@sg-s sg-s merged commit ba96fbf into main Nov 22, 2025
5 of 13 checks passed
@sg-s sg-s deleted the docs-fixes-921 branch November 22, 2025 15:40
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2 participants