Ketcher 2.3.2 (October 5, 2021)

Bugfixes

• Setting initial molecule #806

Ketcher 2.3.1 (August 30, 2021)

Summary

The main goal of release 2.3.1 was to stabilize the release v2.3.0.

New features and improvements

• 'R-Group Label Tool' and 'Shape Eclipse' buttons should not be expanded #719

Bugfixes

• Structure with some S-groups cannot be opened #723

Ketcher 2.3.0 (July 22, 2021)

Summary

We are glad to announce that a new stable version of Ketcher 2.3.0 is released.
The main features implemented in scope of this release are support of enhanced stereochemistry, ability to save structure as an image file, text tool, and support of multiple reaction arrows.

New features and improvements

• Stereo Flags shouldn't appear for structures without correct stereocenters #418

• It's impossible to open Ketcher with already entered molecule #601

• Add a warning when saving a reaction equilibrium arrow in a format that does not support it #543

• Add possibility to replace api path while App is building by passing additional argument #507

• Add multiple arrow support for the same canvas #145

• SETTINGS for the STEREO FLAGS and STEREO MARKS #60

• SAVE and OPEN STRUCTURE with STEREO MARKS #64

• Set PUBLIC_URL as './' by default #508

• Add possibility to add plain text on canvas #144

• Colors for the STEREO FLAGS and STEREO MARKS #62

• Implement "Create Stereo Marks" window #417

• Add support for hydrogen bonds #72

• Representation of Stereo Flags #57

• Stereocenter should disappear after replacing the stereobond with the dative bond or the double cis/trans bond #554

• Implement "Enhanced Stereochemistry" window #527

• Chiral flag should be removed when all Up/Down stereobonds are removed #61

• User can change the text of the four Stereo flags #518

• Rename the "Do not show the Stereo flags" setting and change the default value #556

• Rendering only feature #107

• Add possibility to save structure as image #437

• Unclear/inconsistent handling of absolute/relative stereochemistry #290

• Label Display At Stereogenic Centers for the STEREO FLAGS and STEREO MARKS #63

• Extend Text tool by bold, italic, subscript and superscript support #339

• Move dative/hydrogen bond tools to a separate block in the 'Bond' tool menu #538

• Add the ability to save information about the coordinates of the Stereo flags in * .ket #559

• Update position of stereo flag while structure is moved #167

Bugfixes

• Adding a stereo flag when opening the structure #632

• Incorrect template addition #676

• The descriptor overlaps the structure after Layout #219

• Layout action does not work on the distorted S-group members #671

• No alert error message when trying to open incorrect InChi string #657

• "Undo" after template merging does not work correctly #670

• Stereo-label doesn't update after stereoBond flipping #661

• Left toolbar is not visible in Firefox #612

• Redo does not work for simple object "Shape line" after moving its dots #635

• IE: Save as *.svg file does not work #627

• Atom is not underlined in red after adding to the template #636

• Application crashes after saving a template #652

• The incorrect structure when marks "Load as fragment" #633

• IE: The structure does not open #624

• The application doesn't work after "Undo" #615

• When marks "Load as fragment and copy to the Clipboard" structure don't save to clipboard #634

• Modal windows don't close when pressing the esc button #626

• The structure with R-Group is not visible #621

• Multiple arrows are saved as a reaction in Daylight Smiles format #590

• Ketcher build does not work on Linux #505

• Rotation angle doesn't display after I change its value #380

• 'Calculated values' - The data in 'Elemental analysis' field is displayed incorrectly #445

• Calculated values: old values blink before displaying new once #389

• 'Add text' - The initially created text object remains selected after adding the second one #464

• 'Add text' - It's not obvious how to reduce the "Text editor" window when a scroll is present in it #473

• 'Add text'- Impossible to edit a single letter text object #470

• 'Add text' - Double scroll appears when a long text is entered into the "Text editor" window #467

• 'Save Structure' and 'Structure Check' windows are enlarged when trying to save/check a big molecule #454

• It is possible to save a structure in incorrect format when network connection is slow #456

• The error occurs when trying to undo the delete action for a structure with stereo bonds #485

• Blank page appears after trying to save a reaction with an R-Group member #488

• A part of S-group brackets is enlarged after Cut - Undo actions #448

• 'Add text'- 'Cut'/'Copy' buttons become enabled when a text object is added to the canvas #472

• Incorrect rendering of Stereo Flags in reactions #58

• Console error after delete - undo/redo actions with a structure with stereobonds #573

• "Help" module doesn't display correctly in IE11 #572

• Incorrect stereo flag calculation #579

• Browser crash when copy and paste a sgroup structure #592

• Stereo labels after pasting display incorrectly #194

• The Stereo labels and Attached Data keep their positions after the Flip action #201

• Stereo Flag is not highlighted #604

• Vertical/Horizontal flip hot keys don't work correctly #524

• Error message when copying structure #606

• Blank page and a console error appear while saving #514

• Simple objects - An error in console after the 'Undo' action #511

• 'Add text'- 'Cut'/'Copy' buttons are disabled when a text object is added to the canvas #522

• Error message when trying to open *.ket files with stereochemistry features #532

• 3D Viewer - The light mode doesn't work #531

• Stereo flags are confused with stereo marks in *.ket files #544

• Unable to paste the text objects after cut/copy #551

• The periodic table opens when a text object is selected with the Lasso/Rectangle/Fragment selection tools #549

• Stereo label (E) saves in .smi file #208

• Wrong modal window, a blank page and an error in console after trying to add the Attachment points/R-sites to a structure #499

Ketcher 2.2.1 (April 22, 2021)

Summary

The main goal of release 2.2.1 was to stabilize the release v2.2.0. The whole list of critical issues that were fixed is provided below.

Bugfixes

• Blank page appears after trying to save a reaction with an R-Group member #488

• The error occurs when trying to undo the delete action for a structure with stereo bonds #485

Ketcher 2.2.0 (April 15, 2021)

Summary

We are glad to announce that a new stable version of Ketcher 2.2.0 is released. The main goal of current release was adding support of standalone mode. The list of changes related to this functionality can be found here.

New features and improvements

• Get Molfile in v3000 format #21

• Track if origin file was changed #246

• Add save to MDL molfile v3000 support #190

• Transform global css selectors into css classes #278

• Split Ketcher into Core and Presentations modules #196

• Extend editor API to generate png files based on structure #240

• Fire custom event on structure change #54

• Add delete button for user templates #160

• Add ketcherWindow.ketcher.getSmilesExt() method #266

• Add possibility to hide buttons on control panel #244

• Add bonds information for ket format in DAT s-groups #280

• Add indicator to inform users about execution of 'heavy' operations #255

• Ketcher API: Add possibility to save RXN files #296

• Add ellipse simple object #85

• 'Font' field should be disabled untill list will be loaded #321

• Modal window displaying in Ketcher instance format #325

• Simple Objects selection and resizing mechanism #315

• Add ability to download image in several formats #373

• Allow select simple object by several points in selection area #367

Bugfixes

• If structure contains SRU-Group User can't click 'Calculated Values' button - nothing happens after clicking. #215

• Stereo labels appears on not stereo structure after 'Aromatize' action. #206

• User can create incorrect Multiple S-Group but can't save and warning message doesn't appears. #175

• Calculated Values displays some values from last calculation #279

• Remove process.env.PUBLIC_URL from ketcher-react #282

• Fonts drop-down list can't be opened when User opens settings for the second time #320

• User can't copy/cut and paste part of structure or structure with SRU-polymer S-Group. #177

• When User draw circle without height - Ketcher becomes disabled. #317

• Error after Undo/Redo actions when User has edited S-Group #311

• Unable to calculate values for selected structure #361

• S-Group brackets place in incorrect place on structure with double bonds and sprouted single bonds #269

• Calculated values for reaction: missing last bracket for chemical formula #364

• The structures with atoms with valences rendering incorrectly after saving #46

• Different structure between ketcher.setMolecule() and ketcher.ui.load() #386

• Templates in template library are shifted down when Ketcher have less than 855px width #338

• Display Settings: 'Show hydrogen labels' triggers error #391

• 'Calculated values' fields are editable #388

• Incorrect behavior of Ketcher after deleting of a part of R-Group member #419

• In Template Library scroll bar jumps up and down when it is centered #184

• Incorrect behavior of Ketcher after deleting of a part of S-Group member #433

• 'Any Atom' tool incorrect behavior when selected with hotkey or typed in from keyboard #368

• 'Custom Templates' - User templates are shown without the images in the right pane of the 'Template library' #431

Ketcher 2.1.0 (January 11, 2021)

Summary

We are glad to announce that a new stable version of Ketcher 2.1.0 is released. The main goal of current release is stabilization of 2.1.0-beta release.

New features and improvements

• Update Miew version #148

• Add line simple object #126

• Simple Objects Selection & Dragging Enhancements #112

Bugfixes

• 'Cut', 'Copy' buttons doesn't work - error appears #237

• Warning message doesn't appears for InChi files #186

• Warning message is not shown when trying to save a reaction with R-group members as .rxn file #185

• When User creates S-Group, group selection doesn't disappear #173

• File V3000 format with Atom NOT List is not loaded #228

• Selection for Rectangle sometimes select object incorrectly #226

• User can't copy values from text fields in "Calculated Values" window. After CTRL+C nothing is copied to the clipboard #213

• When User open .mol file with R-Group and then try to save it - blank page appears #187

• Load as a fragment and copy to the Clipboard: Copy to Clipboard doesn't work #193

• It is impossible to choose zoom value from zoom drop down list #174

• Info text under the template image is missing #158

• 'Template name' field does not contain grey 'tmpl' placeholder #159

• The layout of the 'filter' input is displayed incorrectly #153

• Atom number field is empty in 'Atom properties' dialog #152

• 'Label edit' window does not appear while typing #154

• Pasting into "Open Structure" box does not seem to work #143

• Deleting the sprouted bond does not work correctly #146

• Drop-down list of Bond Tools does not work correctly with different screen settings #147

• Ketcher does not work in IE 11 #138

• Rotation is broken if only arrow has been added on canvas #136

• Cannot insert simple object as fragment from .ket #125

• Cut command does not work for Simple Objects #117

• Dialog for editing Rgroup doesn't work #119

• Icon in toolbox is missed while sub-menu is opened #124

• Undo doesn't work for simple objects #129

• Dragging of structure does not work properly #134

Ketcher 2.1.0-beta (November 26, 2020)

Summary

We are glad to announce that a new version of Ketcher 2.1.0-beta is released. The main features delivered in this release are migration to React, new drawing tool for simple objects (Circle and Rectangle), and ability to download Ketcher as NPM package. The whole list of changes can be found below.

New features and improvements

• Introduce Graph format to Ketcher #53

• Migrate Ketcher to React #70

• Need to create the warning message in the case if user tries to save incorrect structure in non-Mol format #47

• Mount on DOM element #7

• Add drawing tool for simple objects #66

Bugfixes

• Warning message should appear for S-Groups and Data S-Group while saving in Extended SMILES and Inchi Auxinfo formats #36

• surpressing window.alert popups #83

• Keacher API: add a method to clear ketcher's drawing area #87

• Recognize function does not work #95

• Recognize Molecule: pictures in tif-format cannot be loaded #28