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OpenBind processing update#374

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rowanwalker96 wants to merge 18 commits into
mainfrom
openbind_update
Open

OpenBind processing update#374
rowanwalker96 wants to merge 18 commits into
mainfrom
openbind_update

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@rowanwalker96 rowanwalker96 commented Jun 3, 2026

  • Restructures trigger_xchem into initial model building, hit identification and collate/export stages
  • Auto exports autoprocessed results back into SoakDB environment
  • Symlinks PanDDA2 results into buckets corresponding to ligand scores
  • Adds support for processing legacy visits
  • Attempts to handle beamline crystal recollections
  • Adds ability to overwrite autoprocessed results (reprocessing)
  • Sends email to team leader on visit processing completion

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