v1.2.0 — ChemDraw ↔ Office / MOL / SVG interoperability

v1.2.0

Added

• chemdraw_convert — ChemDraw-backed conversion between .cdxml, .cdx,
  .mol, .sdf, .png and .svg. This is the bridge to Avogadro, PyMOL,
  OpenBabel, Origin and other chemistry software.
• insert_chemdraw — inserts a real editable ChemDraw.Document.6.0 OLE
  object into Word .docx or PowerPoint .pptx, scaled to the page/slide with
  the source aspect ratio preserved.

Fixed

• Rebuilt convert.ps1 and reaction_layout.ps1 without Get-Clipboard:
  Windows Defender was quarantining the clipboard-reading scripts, which
  removed them and broke structure/reaction generation.

Notes

• PDF is not a chemdraw_convert output because ChemDraw SaveAs does not
  reliably write PDF; use SVG/PNG or export the PDF from Word/PowerPoint.
• Word/PowerPoint are optional; structure generation and format conversion do
  not require Office.

See CHANGELOG.md for details.

v1.1.1 — Centered reaction conditions, formula guard

v1.1.1

Fixed

• Reaction conditions/yields were offset to the right because ChemDraw CDXML
  captions use p as the left edge. The writer now subtracts half the estimated
  text width, and multi-line conditions are each centered above the arrow.
• Large substrates/products no longer collide with the arrow or conditions;
  draw_reaction measures each structure in ChemDraw before the final layout.
• recognize_image accepts expected_formula; a candidate whose formula
  differs is rejected. This catches a missing/extra carbon before drawing.

The Fig. 2 example was corrected to the alpha-CH2 substrate
(PhthN-CH2-CO-NH-MQ, C20H15N3O4) and product (PhthN-CH(Ar)-CO-NH-MQ,
C26H19N3O4 for Ar = Ph).

v1.1.0 — Publication layout, image recognition, reaction drafts

v1.1.0

Added

• recognize_image — OSRA structure recognition for cropped figures or PDF regions, with RDKit validation.
• draw_reaction — one-step reaction-scheme drafts with arrow, conditions, yield and plus signs.
• import_scifinder — read SDF (preferred) or CSV/TSV/TXT exports from a logged-in SciFinder session.
• SMILES:<smiles> input for structures that do not come from PubChem.
• Setup scripts for the Python and OSRA runtimes.

Changed

• Publication-style structure layout: RDKit CoordGen geometry, Arial 9 pt labels, 0.4 cm bonds, 0.6 pt lines, compact reaction spacing.
• README / Chinese manual now document installation, image recognition, reaction drafting, SciFinder export and the new layout.

Fixed

• SMILES element counter no longer misreads Oc1... as a two-letter element.
• CoordGen MOL files use the absolute chiral flag, removing ChemDraw's &1 labels.
• ChemDraw automation cleans up only the hidden processes started by the current call.

See CHANGELOG.md for the full history.