Ketcher 2.7.1 (January 31, 2023)

What's Changed

• #2134 – added valency update for atoms, when adding functional group

Full Changelog: v2.7.0...v2.7.1

Ketcher 2.7.0 (January 31, 2023)

What's Changed

#2028 Hotkey: Atom symbols are not displayed under mouse cursor while mouse hovers over the canvas by @Nitvex in #2067
#2081 – migrate to indigo v1.9.0-rc.3 in browser module by @Nitvex in #2092
#2096 – updated indigo version to 1.9.0-rc.4 by @Nitvex in #2099
#1998: Functional Groups: The abbreviation and hovering preview 'Boc' is displayed as 'Bn'
#2015: Migrate to Indigo v1.9.0-rc.2 in-browser module
#1984: Hot key: If a 'Hand tool' is selected, then when you press any hot key (e.g. 'C','S','O','N') Ketcher crashes
#1934: Hot key 1 turns sulfur into carbon when cursor over the atom
#2020: When hovering over a functional group for the first time a lot of errors are generated in console
#1955: Selection tool: The highlight of structure, abbreviation is not reset when clicking on the canvas #1955
#1986 SMILES: Pasting structure with small letters throw an error
#1973: App crashes when template dialog is closed and reopened and there is text in the search filter
#1959: SDF files are not available as part of npm ketcher-react package
#1957: Migrate to Indigo v1.9.0-rc.1 in-browser module
#1958: Improve performance, when opening Salts and Solvents tab
#1967: base64 file parsing causes an error
#1915 – improved search performance in template dialog
#1864 If the coordinates have a centroid that is far from zero, the molecule placed far offscreen
#1920 Salts and Solvents tab: Abbreviation is expanded after adding to the canvas
#1921: Salts and Solvents tab: When you place abbreviations on the canvas and hover the mouse it's draw the structure by clipping it
#1911 Hovering over some functional groups crops the expanded view of it (refactoring previous implementation)
#1888 Ability to add custom name and values for data sgroup
#1912: update help.md with updated list of keyboard shortcuts
#1922 Salts and Solvents tab: Structure appears for a second in the upper left corner after removing abbreviation
#1939 The hover panel is displayed incorrectly
#1936 Adding functional group to atom generate a JavaScript console error
#1929 CDX detected as MOL
#1914 Data S-Group: In the window 'S-Group Properties' the names of the radio buttons are displayed without separation
#1640 add cdx support
#1824 Show underlying structure on mouse hover for functional groups and salts&solvents
#1894 Add support for extra spaces and quotes in alias for mol v2000 files
#1827 Highlight currently selected tool with mouse cursor and toolbox icons
#1820 Create Salts and Solvents tab and include basic structures
#1823 When select a structure from template window it automatically starts to be added to canvas
#1826 Keyboard shortcut should not change current tool if cursor is over an atom
#1878 Fix husky and add prettier-write task to pre-commit hook
#1852 Automatic selection of mol v2000 or mol v3000 encoding
#1811 Update existing functional groups by missing common groups
#1825 Introduce keyboard shortcuts for atoms not shown on the right panel
#1801 Refactor standalone struct service. Get rid of unnecessary Indigo-worker creation
#1694 Elements styles are overwriting other styles
#1863 Remote version has less save options than the standalone version
#1810 – Make functional group name layout close to attachment point
#1845 [Rotate Tool] Button actions are mixed up: Horizontal Flip button makes Vertical Flip and Vertical Flip button makes Horizontal Flip
#1822 When open template window search text should be selected as default
#1802 Refresh the interface when the scroll axis appears again, it will automatically scroll to the bottom
#1782 add layout method to ketcher api
#1788 Update format when saving template library to sdf

Release 2.6.4 (December 1, 2022)

What's Changed

Release 2.6.4 is now available.
Please be aware Ketcher 2.6.4 has been tested with Indigo version 1.8.3 (standalone and remote).

Bug fixes

• #1879 CDXML import: Molecule above plus sign

Release 2.6.3 (November 29, 2022)

What's Changed

Release 2.6.3 is live!
In this release we focused on bugfixes for CDXML.
Please be aware Ketcher 2.6.3 has been tested with Indigo version 1.8.2 (standalone and remote).

Bug fixes

• #1764 ket objects coordinates issues
• #1853 CDXML import: reaction reagents disappear, arrow changes size and angle
• #1854 CDXML import: multi-step reactions lose some elements

Release 2.6.2 (November 18, 2022)

What's Changed

Release 2.6.2 is live!
In this release we have implemented some minor improvements for development process and fixed bugs.
Please be aware Ketcher 2.6.2 has been tested with Indigo version 1.8.1 (standalone and remote).

New features and improvements

• #1839 Removed lightweight tag from page title. Now, only the version of Ketcher is shown in page title without any additional information
• #1843 Added possibility to enable/disable redux-logger. New environment variable was introduced – KETCHER_ENABLE_REDUX_LOGGER, which is set to false by default.

Bug fixes

• #1795 Added render-coloring: true to add colors when saving. Ketcher is able to properly export PNG and SVG images with colours.
• #1785 SMILES import fails if dearomotize-on-load is true.
• #427 'Calculated values' - Error messages are different in 'Remote' and 'Standalone' modes.

Release 2.6.1 (November 15, 2022)

What's Changed

New version of Ketcher 2.6.1 was released!
In this release we were focused on bug fixes and improvements of user experience.
Please be aware Ketcher 2.6.1 has been tested with Indigo version 1.8.0 (standalone and remote).

New features and improvements

• #1789 Paste area should have focus
• #1788 Update format when saving template library to SDF
• #1783 highlight the element tool from the right side button panel
• #1817 Change the default selection tool to the rectangle selection tool

Bugfixes

• #1828 Wrong version of npm package is published

Ketcher 2.6.0 (November 4, 2022)

Summary

We are happy to announce that new version 2.6.0 of Ketcher has been released.

Ketcher 2.6.0 release was focused on adding support agents in reactions and updating of Ketcher API along with the delivery of other functions.

Please be aware Ketcher 2.6.0 has been tested with Indigo version 1.8.0 (standalone and remote).

The whole list of changes can be found below.

What's Changed

New features and improvements

• #1717: ketcher/example doc (or code) is broken. Updated docs @porcelain11 in #1721
• #1722: Implement addFragment method by @porcelain11 in #1759
• #1723: convert Daylight SMILES using indigo API by @LadaYudovina in #1726
• #1734: Support CDXML in Ketcher by @LadaYudovina in #1766
• #1753: Add dearomatize on load to settings inhttps://github.com//pull/1769
• #1754: Add method set/get setting to the Ketcher API @porcelain11 in #1769
• #1755: Block UI when setMolecule is called @evgeniiFrolov1 in #1765
• #1757: Reduce unnecessary info API method calls @LadaYudovina at #1761
• Update DEVNOTES.md by @yuleicul in #1742

Bugfixes

• #1404: Text cannot be exported to pictures
• #1616: The added Reaction Plus to the structure is lost after applying the Layout
• #1700: PNG file is not shown in Remote
• #1701: SVG file is not shown in Remote
• #1709: Text nodes lose after save to SVG
• #1717: ketcher/example doc (or code) is broken fixed by @porcelain11 in #1721
• #1733: Ketcher creates invalid molfiles with "NaN" fixed by @evgeniiFrolov1 in #1779
• #1735: Update Ketcher format for text node fixed by @porcelain11 in #1737
• #1736: Can't save as an rxn file if reaction consists of two or more reaction arrows fixed by @LadaYudovina in #1749
• #1741: Cannot read properties of undefined (reading 'aid') fixed by @porcelain11 in #1748
• #1762: File with text saved in .ket format won't open fixed by @LadaYudovina in #1763
• #1792: Pasting Ket files with Unicode is failed fixed by @evgeniiFrolov1 in #1793

Ketcher 2.5.2 (September 13, 2022)

Bugfixes

• Can't scroll up right toolbar in browser zoom #1667
• Page is scrolling down when you click on ketcher #1679
• The double bond is lost when I add a benzene #1689

Ketcher 2.5.1 (June 17, 2022)

New features and improvements

• Add Hand tool #1306
• Add 'recognize' function to ketcher API #1468
• Form error messages redesign #1599

Bugfixes

• R-Group definition changes when server functions are applied #1487
• Can't scroll up right toolbar in browser zoom #1667
• It is impossible to create s-group with repeat count more than 1000 #1657
• The Periodic table opens when user double-click an element from the Extended table. #1663
• Error in console when user clicks an atom in the Atom Palette/ Periodic Table while a bond is selected #1665

Ketcher 2.5.0 (May 30, 2022)

Summary

We are happy to announce that new version 2.5.0 of Ketcher has been released.

Ketcher 2.5 release was focused on improving the user experience and design of the application along with delivery of other functions.
It has fresh and updated icons combined with renewed color scheme and new canvas zoom approach. Fullscreen ability can provide great sketcher experience even if Ketcher is embedded in the small frame. File operations flows and other functions have received an improved flows and renewed dialog windows. Access to the Extended table became much more easy and Template library will now combine ready-for-use templates along with set of predefined functional groups.

Please be aware Ketcher 2.5 has been tested with Indigo version 1.7.1 (standalone and remote).

The whole list of changes can be found below.

New features and improvements

• Ketcher redesign (see related issues for details)
• Full-screen mode support for Ketcher #1273
• use iframe embed standalone version ketcher init error #1235
• Implement miew viewer with miew-react #1188
• Extend ketcher API: Add possibility to run server functions #1172
• Arrow Tool: Elliptical Arrows #1045
• Text Tool: Add special symbols #1044
• Option to save as InChIKey #1334
• Enabling wildcard atom button in top-level UI #1409
• Support of custom headers #1628

Bugfixes

• Cannot deserialize input JSON if using Clean Up functionality on structure containing R-Groups #1391
• Via ketcher The size of mol displayed in the editor is inconsistent between calling ketcher.setMolecule(）and direct copy and paste #1322
• An error message is displayed when server functions are applied to an R-group member with invalid stereocenters. #1452
• Functional Group abbreviation context menu can't be opened without selecting FG #1386
• Invisible enhanced flag interferes with user selection #1332
• Strict mode warnings in console #1290
• Button group is not be presented if ketcher is in a drawer #1325
• Focus lost on second symbol while trying to enter atom label #1294
• Incorrect vertical scrollbar when saving in Daylight SMILES format #1307
• Sending structure to renderer in molfile format instead of ketcher format #1300
• Structure check modal window causes error when closed right after update #1291
• Incorrect horizontal scrollbars in Save Structure modal window #1292
• Templates with simple objects are incorrect after refreshing the page #1276
• Shift between pointer and atom #1272
• ketcher-react not working out of the box with create-react-app #1241
• Error on opening .txt file #1149
• Settings - Preview images of structures (Templates Library, FG Library) do not respect global display settings #900
• Clear Canvas hotkey not working on MacOS #397
• can not setMolecule in onInit #1174
• Stereomarks and stereoflag are not displayed for templates with stereocenters #1258
• Atom IDs are not shown when settings specify to display them #1231
• Extra scrollbar in Data S-Groups modal when Field name contains long string #1312
• Tool refers to unmounted canvas instance when new file is opened #1057
• Open, Save and Reset buttons in Settings window looks unclickable (grey) #1350
• Incorrect double click behavior in Custom Templates window #1364
• No waiting for server to respond between Structure Check checkboxes turning on/off #1367
• The floating windows don't close after clicking on the ESC button #1504
• Different merging of templates from template list and from template library #1587
• It's not possible to select parts of different structures using the 'Shift' key. #1552
• It's possible to create a custom template with a duplicate name #1553
• Incorrect rendering of Data S-Group when it is applied to part of the cyclic structure #1575
• List/Not List atoms are converted to 'L#' symbols after the replacement of atoms by the R-group label is undone #1530
• Cannot deserialize input JSON if using server functionalities on a structure containing Not List atoms #1603
• Wrong sign for specific types while ket-generation #1600
• Unable to save a reaction in server formats if text is present on the canvas #1444
• Elements should be hidden when the attribute hiddenControls is used #1601
• The valence of monovalent atoms is displayed incorrectly in the structure after the Copy/Paste actions #1531
• The structure with reaction is displayed incorrectly after applying the Layout #1617
• R-Group definition changes when server functions are applied #1487