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v0.2.0 — Anki flashcards, titration curves, 3D viewer & more

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@jurimaxam-dotcom jurimaxam-dotcom released this 11 Jun 19:53
· 3 commits to main since this release

First PyPI release — install with nothing but uvx chemdraw-mcp.

New since v0.1.0:

  • Anki flashcard export (export_anki_deck): ready-to-import .apkg decks with rendered structures, reaction schemes and spectra embedded; reversed cards (one note, both directions), cloze notes, per-card tags and Parent::Child subdecks; deterministic IDs so re-exports update instead of duplicate. Optional delivery straight into the running Anki via the AnkiConnect add-on
  • Curated starter decks (export_curated_deck): classic analgesics and Ph.Eur. identity reactions — every structure formula-verified in CI
  • Titration curves (generate_titration_curve): exact charge-balance pH curves with equivalence points, buffer points and indicator bands; polyprotic acids supported
  • Species distribution (generate_species_distribution): protonation species over pH with pKa crossovers
  • Molecule comparison (compare_molecules): 2-4 structures side by side, MCS scaffold neutral, differences highlighted
  • 3D viewer (generate_3d): rotatable ball-and-stick conformers (ETKDG + force field) in a concave in-panel viewer, plus SDF export
  • Stereo annotation: CIP descriptors (R/S, E/Z) on 2D drawings via annotate_stereo
  • Collision-free spectrum peak labels, panel views that always fill their frame, fully English interface

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