There is a feature update (v9.3) to the ChemDoodle Web Components library today. Please see below for changes. Proprietary customers should see updates to their custom builds in their customer portal. As always, if you have any questions, suggestions or bug reports concerning iChemLabs software, please contact us.
Executive SummaryVersion 9.3 is a feature update to the ChemDoodle Web Components library. Included are the ability to define and input/output enhanced stereochemistry definitions as well as MOL v3000 support. New demos include chemical image recovery, ADA and WCAG compliance, stoichiometry tables, and Wiswesser Line Notation parsing.
- Enhanced Stereochemistry. You may now define enhanced stereochemistry for chemical structures, using or and & modifiers. All stereocenters are absolute (abs) by default. You may manually define group numbers for more advanced stereochemistry queries. Enhanced stereochmistry definitions are read and written from ChemDoodle JSON and MDL CT files (v3000 only). Please see the sketcher demo for more information.
- Added a class (ChemDoodle.structures.Reaction) for defining a reaction and separating molecules into reactants and products based on an arrow object.
- The sketcher's isotope popover now displays over the atom you are editing instead of from the top of the sketcher.
- Added MOL v3000 support, with enhanced stereochemistry support. You will set the version property of the ChemDoodle.io.MOLInterpreter class to true to output v3000 instead of v2000. Input will automatically detect version and parse accordingly.
- Added a new demo to demonstrate our chemical image recovery algorithms (also known as optical structure recognition): Chemical Image Recovery
- Here are features to aid in ADA and WCAG compliance: ADA & WCAG Accessibility Compliance
- Added a new demo to demonstrate our fully chemically aware and auto-calculating stoichiometry tables.
- Check out the legacy Wiswesser Line Notation with this new demo: Wiswesser Line Notation (WLN)
- Isotope popover now works properly on mobile devices.
- Improved isotope number spacing with respect to atom labels.
- Corrected the display of implicit hydrogen overrides on metal atoms.