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ChemDraft 0.3.9

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@jgassens jgassens released this 04 Oct 23:00
v0.3.9
2a6d4c8
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Learn about vigilant mode.

macOS (Apple silicon)

ChemDraft now explains analyses that can't run, and is stricter about chemistry it can't read faithfully.

  • Analyzer notices. When an analysis can't run (for example Analyze ▸ Analyze Mass / m/z with no molecule, or two, selected), a notice at the bottom left now says why. It stays up while you point at it, and closes on its own or with ×.
  • Clearer SMILES paste errors. When pasted SMILES can't be drawn, ChemDraft pastes it as text and the status line says why.
  • No invented radicals. If RDKit is unavailable and ChemDraft reads SMILES with OpenChemLib instead, an aromatic ring that can't be drawn as written (for example n1cccc1, which needs [nH]) is refused with an explanation instead of being drawn with an unpaired electron.
  • Unknown bonds are not exported as single bonds. A bond whose order ChemDraft doesn't know (for example from an imported file) now stops SMILES export for that structure and names the bond. Structure-list exports report it and continue with the rest.
  • Less work at startup with OpenChemLib. If Spin 3D is set to OpenChemLib, ChemDraft no longer loads RDKit in the background after launch.

Automatic updates are delivered via Sparkle (File ▸ Check for Updates…).

Windows

ChemDraft now explains analyses that can't run, and is stricter about chemistry it can't read faithfully.

  • Analyzer notices. When an analysis can't run (for example Analyze ▸ Analyze Mass / m/z with no molecule, or two, selected), a notice at the bottom left now says why. It stays up while you point at it, and closes on its own or with ×.
  • Clearer SMILES paste errors. When pasted SMILES can't be drawn, ChemDraft pastes it as text and the status line says why.
  • No invented radicals. If RDKit is unavailable and ChemDraft reads SMILES with OpenChemLib instead, an aromatic ring that can't be drawn as written (for example n1cccc1, which needs [nH]) is refused with an explanation instead of being drawn with an unpaired electron.
  • Unknown bonds are not exported as single bonds. A bond whose order ChemDraft doesn't know (for example from an imported file) now stops SMILES export for that structure and names the bond. Structure-list exports report it and continue with the rest.
  • Less work at startup with OpenChemLib. If Spin 3D is set to OpenChemLib, ChemDraft no longer loads RDKit in the background after launch.
  • Update notes read cleanly. The update dialog now shows release notes as plain text, without stray formatting marks.
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