We are pleased to introduce version 12.9 of our ChemDoodle 2D software. This update is free for all ChemDoodle subscriptions, Lifetime and Site licenses. Licenses are as little as $19, and we have a free trial available at: https://www.chemdoodle.com/

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Automatically generate results for drawn mechanisms in ChemDoodle 2D v12.9.

Executive Summary

Version 12.9.0 is a feature update for ChemDoodle 2D. This update focuses on mechanism diagrams, including new electron pusher functions and the ability to automatically generate the results of drawn mechanisms. Many issues brought to our attention have also been corrected, please see below.

Additions

  1. There is a new function for automatically generating the results of a mechanism drawing using electron pusher shapes. Please see section section 7.5.4 of the user guide for instructions.
  2. Bond-to-atom two electron pushers used as shorthand will now define a fuse atom. Drawing electron pushers in pusher shape states now allows you to click on a hovered pusher to flip direction and will allow you to toggle the fuse atom for bond-atom two electron pushers. Please see section section 9.13 of the user guide for more information.
  3. More elemental data has been added, including Pyykkö single, double and triple covalent bond radii and Shannon ionic radii.
  4. Orbitals may now be rendered without fill or border. Transparency styles are also now applicable to orbitals.
  5. ChemDoodle JSON IO has been updated to the latest specification. Bracket support has been added.
  6. Chemical Markup Language and ChemDoodle Document formats have been added to the Edit>Copy As menu. This will help when saving data internally in OneNote as OLE objects are not supported by OneNote.

Fixes

  1. Fixed crash caused by trying to expand only multiple symbols in a label "--".
  2. Corrected error in traditional naming of cumene as a substituent when coming from the isopropyl side.
  3. Significantly improved the runtime of IUPAC naming when complex ring blocks are present.
  4. Improved structure cleaning algorithm when SSSR is degenerate on the largest ring and it is a macrocycle.
  5. Fixed edge case where wedge bond is rendered as retracted when it shouldn't be.
  6. Continued improvements to complex pusher arrow layouts.
  7. Fixed issue with "objecttag" information in CDXML files.
  8. Fixed input of MAE files with colors outside of the specification standard range.
  9. Fixed input of MAE files with double quotes in Strings.
  10. MAE files with multiple structures are now read in properly.
  11. The Settings window will now cancel on escape key. Improved recognition of escape key events for all dialogs.
  12. Reorganized Settings Clipboard pane.
  13. Added another error check for PubChem if HTML is returned by the PUG REST interface (basically an error on PubChem's side occured).
  14. NMR widget now only renders the first selected molecule dropped, as it is the only one the simulation will take place for.
  15. Updated application icon for macOS Tahoe.
  16. Corrected issue where the Windows Registry window is not opening to define filetype associations.