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Markush Editor History of Changes

Only major changes listed here, minor bugfixes, dependency updates, and smaller improvements are not included in the changelog.

Markush Editor 21.12

New Features and Improvements

  • Added automatic generalization of R-groups during the generation of the Markush structure (selectable option on the Compose Markush Structure Window)

Markush Editor 21.10

New Features and Improvements

  • Added option to select preference between IUPAC name/formula in the exported document for functional group names

Markush Editor 21.9

New Features and Improvements

  • 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

Markush Editor 21.4

New Features and Improvements

  • Remove confusing attachment order indicators from R-groups in exported documents
  • Installer now works on MacOS Catalina

Markush Editor 21.2

New Features and Improvements

  • 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

Markush Editor 20.19

New Features and Improvements

  • Basic support of claim hierarchy
  • Visual editor for custom fragment dictionary

Markush Editor 20.17

New Features and Improvements

  • Significant improvements in automatic scaffold detection (side changes handling)
  • Configurable fragment dictionary to overwrite the default fragment names in claim text generation

Markush Editor 20.13

New Features and Improvements

  • Export the exemplified structures list with structure images and IUPAC names to the generated document.

Markush Editor 20.9

New Features and Improvements

  • Markush to text export to DOCX format
  • Significant improvements in the quality of the generated claim draft

Bugfixes

  • Unnecessary hit coloring removed from exported structure images

Markush Editor 20.5

New Features and Improvements

  • Major platform update (NetBeans platform version 9.0)

Markush Editor 19.29

Bugfixes

  • Make Markush required additional license
  • In some cases, aromatic and non-aromatic fragments are mixed in hit coloring

Markush Editor 19.1

New Features and Improvements

  • Markush structure to text export in HTML format

Markush Editor 17.5

New Features and Improvements

  • Version number system change

Markush Editor 17.1.9

New Features and Improvements

  • Configurable Markush validation options.
  • Bond length checker removed from the default checker configuration.
  • Major platform update (Netbeans platform version 8.0)

Markush Editor 15.10.12

New Features and Improvements

  • Rename R-groups from the tree.

Markush Editor 15.9.28

New Features and Improvements

  • Save validation result during structure list export.

Markush Editor 15.9.21

New Features and Improvements

  • The number of matching structures in validation view.
  • Ignore stereo during Markush validation

Markush Editor 15.9.7

New Features and Improvements

  • New composer dialog.
  • Composer input file with non-separated molecules allowed.

Markush Editor 15.8.24

New Features and Improvements

  • Stereo ignored during Markush validation and Non-Hit coloring.

Markush Editor 15.6.22

New Features and Improvements

  • logP filter in the biased enumeration.
  • Save and reset enumeration preferences.
  • New more-readable estimated library size format.

Bugfixes

  • 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 Editor 15.6.15

New Features and Improvements

  • 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.

Bugfixes

  • Incorrect fragment size in a case of link node and repeating unit fixed.
  • A strange look of enumeration panel in Mac and Linux fixed.

Markush Editor 15.6.1

New Features and Improvements

  • Biased enumeration (directed enumeration based on user-defined parameters).
  • Molecular weight filter in the biased enumeration.
  • Unified Mac and Linux installer.

Markush Editor 15.5.18

New Features and Improvements

  • R-group inline action in Markush tree nodes context menu

Markush Editor 15.5.4

New Features and Improvements

  • Better display for Composer results.
  • Improved MCS calculation for R-group nesting.

Markush Editor 15.4.20

New Features and Improvements

  • Composer capable of generating Markush structures with position variation bonds.
  • Support of R-groups for user defined scaffold.

Markush Editor 15.4.13

New Features and Improvements

  • Info dialog if composer creates more than one Markush structures.

Markush Editor 15.4.6

New Features and Improvements

  • Atom list and bond list support in Composer for user defined scaffold.

Markush Editor 15.3.30

New Features and Improvements

  • Improved scaffold recognition in Composer..

Markush Editor 15.3.23

New Features and Improvements

  • Set scaffold function in Markush Composer wizard.

Markush Editor 15.3.16

New Features and Improvements

  • Display R-group alias instead of R-group number if it exists.

Markush Editor 15.2.23

New Features and Improvements

  • Smaller, fragment selection handling improvements.

Markush Editor 15.2.16

New Features and Improvements

  • New selection, hit error and warning visualization in Markush Tree and Fragment view.
  • Improved undo and redo mechanism, capable of handling structure fixer actions.
  • Mac and Linux installer..

Markush Editor 15.2.9

New Features and Improvements

  • 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.

Markush Editor 15.2.2

New Features and Improvements

  • Support common hotkeys.
  • Add R-group attachments to fragments automatically in trivial cases.
  • Make structure fix actions undoable.

Bugfixes

  • Enumeration exception in a case of undefined R-groups.

Markush Editor 15.1.26

New Features and Improvements

  • Automatic version update.
  • Reorganized preview and nesting view components.

Markush Editor 15.1.12

New Features and Improvements

  • Spreadsheet view for enumeration results with R-group fragments.
  • Duplicates and infeasible rings filter in the enumeration.
  • Enumeration results in export.

Markush Editor 14.12.8

New Features and Improvements

  • If a Markush structure inserted into the scaffold editor it automatically split to scaffold and fragments.

Markush Editor 14.11.24

Bugfixes

  • Display only explicit R/S labels.
  • Markush export error in some cases.
  • Wrong tab display names for files containing multiple structures.

Markush Editor 14.11.17

Bugfixes

  • Checker panel "invalid checker" warning fixed.

Markush Editor 14.11.10

Bugfixes

  • 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.

Markush Editor 14.10.27

New Features and Improvements

  • R-group bridging support.

Markush Editor 14.10.6

New Features and Improvements

  • Dynamic enumeration count calculation.

Markush Editor 14.9.29

New Features and Improvements

  • Full view removed.
  • New action icons added.

Markush Editor 14.9.22

New Features and Improvements

  • Composer standardizer action for removing awkward/superfluous R-groups.
  • Composer scaffold calculation optimization.

Bugfixes

  • Minor enumeration related bugfixes.

Markush Editor 14.9.8

New Features and Improvements

  • Support for open multiple files at once.
  • Improved re-ordering of fragments and R-groups.

Markush Editor 14.8.25

New Features and Improvements

  • List atom supports in the composer.
  • Migrated to Java 8.

Bugfixes

  • Composer-related minor bugfixes.

Markush Editor 14.8.18

New Features and Improvements

  • Unnecessary fragment and scaffold cleaning removed.

Markush Editor 14.8.4

New Features and Improvements

  • MCS optimization for better scaffold recognition.

Markush Editor 14.7.21

Bugfixes

  • New empty file saving exception fixed.

Markush Editor 14.7.14

New Features and Improvements

  • "Don't show this message again" option for license warning in viewer mode.

Bugfixes

  • Fewer Composer warnings.
  • Memory leak related to closed structures fixed.

Markush Editor 14.7.7

New Features and Improvements

  • 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.
  • Improved product info dialog.

Bugfixes

  • New files naming error fixed by confusing temporary file ID removed.
  • Timing error related to fast tabs opening fixed.

Markush Editor 6.3.0

New Features and Improvements

  • First public release.