We are pleased to introduce version 11.10 of our ChemDoodle 2D software. This update is free for all ChemDoodle subscriptions, Lifetime and Site licenses. Licenses are as little as $15, and we have a free trial available at: https://www.chemdoodle.com/

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Some new feature highlights in ChemDoodle 2D v11.10.

Executive Summary

ChemDoodle 2D v11.10 includes further advancements to our cheminformatics functions along with some new features. The stereochemistry engine has seen a complete rewrite, with a brand new system for evaluating stereogeometries in OD/2D/3D, leading to accurate generation and interpretation of wedge drawings and full support for stereochemistry in SMILES protocol. Further advancements in our industry-leading 2D coordinate layout algorithm are provided. New features include ring coloring for highlights, support for group objects in ChemDraw files, checking bonds for drawing warnings, new periodic table options and more. For macOS users, the QuickLook plugin is now functional on the latest macOS versions.

Additions

  1. Further advances for the 2D structure layout algorithm. Added more templates. Better ring embedding. Better overlap untangling. Standard molecule type orientations (amino acids, steroids, etc.). Try your hardest structures and let us know what you think!
  2. The stereochemistry engine has been rewritten from the ground up. It now works closely with the 2D layout algorithm and produces accurate wedge diagrams according to IUPAC rules, even in complex cases. Interpretation of wedge drawings is also accurate via IUPAC rules. More stereochemistry warnings are now shown, including on bonds, to check your work. Please see section 13.17 of the ChemDoodle User Guide for more information.
  3. Significant SMILES improvements. Atom properties are now interpreted as best as possible if not in the correct order as defined by Daylight. Reaction SMILES are now read and written. Reworked and full support for advanced stereochemistry in SMILES input and output. Allene and cumulene configurations are now supported. Advanced parsing of all configuration types, even those not supported by ChemDoodle. Unsupported configuration types will just be ignored, but will show a warning in the Line Notation Pad widget. Corrected all known issues.
  4. Improvements to the automatic chain drawing tools. When using shortcuts to add chains, if the origin is an end of a triple bond, the angle will be made 180 degrees. Using shortcut keys to add chains will also look for the least congested area, like the optimize zone does.
  5. Support for the input and output of group objects to ChemDraw CDX and CDXML files. On input, non-integral groups from ChemDraw are not fully compatible with the z-indexing system in ChemDoodle, so there is a new option in Files Preferences for ChemDraw files to breakup groups on input, preserving the intended z-indexing.
  6. Highlight shapes now allow you to color in rings. This ability is off by default when creating a highlight. Please see section 9.13.3 of the ChemDoodle User Guide for more information.
  7. Lewis dot structures now can be generated from skeleton structures containing condensed labels.
  8. Added new warnings, and warnings are now shown on bonds. Please see section 13.5 of the ChemDoodle User Guide for more information.
  9. Historic IUPAC group classifications can now be displayed on the periodic table.

Fixes

  1. Corrected an issue where 2D clean didn't preserve double bond geometry if a condensed label was present.
  2. Flipped stereo wedge bonds are now correctly considered when updating stereochemical configurations.
  3. Brown frame surrounding template additions when drawing has been removed.
  4. Fixed issue in ICXML files where path and bezier fill states were not saved.
  5. The QuickLook plugin is now functioning on the latest macOS versions.
  6. Typographical fixes.