Only major changes listed here, minor bugfixes, dependency updates, and smaller improvements are not included in the changelog.
Composer improvement resulting in a more accurate handling of ring systems in the generated Markush, including heteroaromatic rings as well
Markush Editor now supports quick input of homology groups for entering fragment definitions when editing R-groups (by typing the abrreviation for the group in the opened editor window)
Both ChemAxon names and shortcuts defined in the Derwent Markush Reference Manual are recognized for these homology groups
New quick text input function for entering fragment definitions in the Markush tree (Reachable through the right click context menu)
New Create narrowed claim based on selection function available in validation view
Composer improvement for better handling of ring systems in R-groups in case of an automatically generated Markush
New updated look and feel of Markush Editor
Migrated Markush Editor to Java 11
Auto Update doesn't work for this version !
A clean manual installation is required for 21.19. For the following updates Auto Update in Markush Editor will be available again.
Added customizable example numbers to show user defined numbers pulled from the input exemplified data file
Added advanced customizable data export features allowing to show additional data (compound ID, assay data, preparation information etc.) present in the example structure file in the exported draft document either as part of the document body or as a comment
Major Markush Editor layout changes
Improved freely resizable and reorganizable Validation view (moved from beow Markush tree to the right of it)
Added Example lists window for importing and managing multiple example structure sets for a single Markush
Loaded Example lists are now saved together with the Markush structures
Added Japanese Language support for document preview and export
Example structures can now be aligned to the scaffold from the context menu in Validation view
Nesting view and Preview can now be reached from Markush inspection views on the toolbar
Remove confusing attachment order indicators from R-groups in exported documents
Installer now works on MacOS Catalina
Claim checker for verrifying the consistency of claim hierarchy
Improved handling of heteroaromatic rings in composer
New replace fragments with more specific/more general feature
Significant improvements in automatic scaffold detection (side changes handling)
Configurable fragment dictionary to overwrite the default fragment names in claim text generation
Markush to text export to DOCX format
Significant improvements in the quality of the generated claim draft
Make Markush required additional license
In some cases, aromatic and non-aromatic fragments are mixed in hit coloring
Configurable Markush validation options.
Bond length checker removed from the default checker configuration.
logP filter in the biased enumeration.
Save and reset enumeration preferences.
R-group aliases are not shown in the enumeration spreadsheet view.
Max. structure count applied before filtering resulting in fewer structures what is expected.
Markush validation against structure list, with built-in hit and non-hit visualization.
By using Markush Composer wizard validation structures automatically populated with the Composer's input structure list.
Hydrogen bond donors and acceptors filter in the biased enumeration.
Incorrect fragment size in a case of link node and repeating unit fixed.
Biased enumeration (directed enumeration based on user-defined parameters).
Molecular weight filter in the biased enumeration.
Composer capable of generating Markush structures with position variation bonds.
New selection, hit error and warning visualization in Markush Tree and Fragment view.
Improved undo and redo mechanism, capable of handling structure fixer actions.
A new selection hit error and warning visualization in Markush Tree and Fragment view.
Improved undo and redo mechanism, capable of handling structure fixer actions.
Support common hotkeys.
Add R-group attachments to fragments automatically in trivial cases.
Spreadsheet view for enumeration results with R-group fragments.
Duplicates and infeasible rings filter in the enumeration.
Display only explicit R/S labels.
Markush export error in some cases.
Wrong tab display names for files containing multiple structures.
In the Markush tree view, scrolling to the selected structure checker result did not work properly.
Fixing only a selected structure checker result did not work properly in some cases.
Enumeration count of hHomologies modified to one regardless to the type of the homology.
Composer standardizer action for removing awkward/superfluous R-groups.
Markush Composer Wizard for generating Markush structures automatically from the list of compounds.
Improved fragment visualization.
Fragments' borders removed.
Random enumeration when only scaffold selected.
The opening sketch window by double clicking.
New files naming error fixed by confusing temporary file ID removed.