We are pleased to introduce version 12.8 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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Some new features in ChemDoodle 2D v12.8.

Executive Summary

Version 12.8.0 is a feature update for ChemDoodle 2D. New features include functional group highlighting, an advanced algorithm for better automatic pusher layouts, CML and MRV support for reactions, and redox reaction handling when balancing equations.

Additions

  1. Functional groups can now be highlighted using the Structure>Highlight Functional Groups menu item. Choose between classical and Ertl groups. Please see section 13.10 of the user guide for more information.
  2. Balancing equations should try to find oxidation states in irreducible cases. Please see section 7.9.6 of the user guide for more information. Additionally, balancing equations now also ignores (l) liquid state of matter designations in addition to (aq), is now able to resolve a +1 charge followed by another species without a space (++), and now allows any dash-like characters to be used for minus signs.
  3. An improved algorithm has been devised to better layout automatic pusher arrows. This new algorithm also considers multiple pushers at the same time for more complex figures.
  4. CML reaction files are now supported. Also support for reaction mapping. Choose to output CML reaction molecules as part of the reaction element or in separate referenced molecule elements. CML files with no coordinates will now have coordinates added, also reactions laid out.
  5. Support for MRV file reactions and reaction mapping.
  6. InChI implicit protium, deuterium and tritium values are now recognized on input.
  7. Added a new color setting for Lassoed Object Background to control the color used to render the background of selected objects.
  8. Quick colors are now remembered through application restarts.
  9. A font style has been added for query labels. This font style is named Query Font and is found in the Styles window under the Pages tab under the Text section.
  10. Updated several of the 3rd party libraries.

Fixes

  1. Better placement of attributes when overlaps occur far from the attributed atom, targeted for stereochemical labels.
  2. Corrected an issue where Joback calculations were incorrectly cached once per application start.
  3. Fixed issue where azide labels at the end of strings are interpreted as molecular formulas.
  4. Resetting workspace now also resets quick colors button.
  5. Corrected issue loading in invalid labels from CDX files.
  6. Fixed CDX load bug where references to undefined colors caused an error.
  7. Fixed issue where the label shortcuts tool tray was not appearing in the correct location.
  8. The Auto-layer Bonds by Wedges menu item is now correctly deactivated if no bonds are selected.
  9. Alpha values for colors may now be stored to settings and styles.
  10. Fixed shortcut window visibility in dark mode.
  11. Resolved issue loading autosaves on macOS.