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Releases: epam/ketcher

Ketcher v2.20.0 April 30, 2024

30 Apr 20:09
cdd91d2
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What's Changed

This release includes several bug fixes and new features. Please be aware Ketcher 2.20.0 has been tested with Indigo version 1.19.0 (standalone and remote).

New features

  • #3650 - Remove and insert nucleotides in sequences (sequence representation)
  • #3861 - Insertion mode for nucleotide entry (switch RNA/DNA/Peptide)
  • #4146 - UI for Open/Save As FASTA
  • #4109 - UI for Save As Sequence
  • #3819 - Selection in sequence representation for view mode
  • #3819 - Selection in sequence representation edit mode
  • #3876 - Nucleotide preview in sequence representation

Bugfixes and improvements

  • #3005 - Unable to 'undo' the paste action, if there is no reset to Select tool
  • #3902 - If open a macro file and put in center of canvas in micro mode then switch to macro, structure is not in center of canvas*
  • #3750 - Add search menu clear button
  • #4173 - the pop-up window does not appear in fullscreen mode after clicking the “Open” button and the “Save as” button
  • #4231 - Maximum call stack size exceeded error appears during snake layout for large chains
  • #3663 - After clicking the 'Duplicate and Edit' button and subsequently clicking 'Cancel,' the preset remains saved.
  • #4241 - Pasting large cyclodextrins structure cause Ketcher to freeze
  • #4271 - The Uncaught TypeError appears in the DevTool Console, when scrolling until it stops, using the Shift+Left arrow, in the Text-editing mode
  • #4295 - Cannot save FASTA using the Remote mode
  • #4286 - Editing grid disappears but editing mode is on
  • #4297 - When removing nucleotides from the canvas, the preview of the nucleotide does not disappear, if you leave the cursor over it
  • #4192 - Export to SVG/PNG ignores "Show hydrogen labels" option
  • #3775 - Phenylalanine mustard is displayed incorrectly in the Structure library
  • #4296 - When pressing the Enter or the Spacebar, the “Edit mode” drop-down opens and closes randomly in the Text-editing mode
  • #4028 - When monomers are selected Del and Backspace hotkey delete selected monomers and switches to Erase tool
  • #4356 - Clear canvas button doesn't work in Sequence mode
  • #4369 - Del button works as Backspace button that is wrong
  • #4329 - Cyclic chains disappear from canvas when switching to sequence mode
  • #4252 - Migrate to Indigo v1.19.0 in-browser module

Ketcher v2.19.0 April 23, 2024

30 Apr 17:24
0565211
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What's Changed

This release includes several bug fixes and new features. Please be aware Ketcher 2.19.0 has been tested with Indigo version 1.18.0 (standalone and remote).

New features

  • #3648 - Displaying unmodified nucleotide chains in sequence representation
  • #3869 - Left-to-right ("Snake-like") layout for RNA
  • #3870 - RNA layout change while switching from sequence to flex and snake modes
  • #3728 - Add group selection for macromolecules
  • #4519 - Macro: Add Pyrro and AspOH peptides to monomer library

Bugfixes and improvements

  • #3827 - Add fixes in group selection for macromolecules
  • #3736 - System marks availiable connection point as unavaliable in Select Connection Point dialog
  • #2177 - library.svg file for templates does not seem to be used
  • #3862 - UI modal window to open and save sequence format
  • #4047 - System doesn't save selection state for atom wrapped into R-Group
  • #3017 - Using setMolecule with molfile does not rescale bond lengths
  • #3891 - Aromatize/Dearomatize of having abbreviation (Salts and Solvents) on the canvas causes spontaneous random de-abbreviation
  • #3893 - Remove explicit hydrogens feature changes layout of simple molecules
  • #3918 - When deleting part of a structure using a hotkey Del, and preview of structure is under mouse cursor, an error occurs.
  • #4088 - System print out subscripted text imperfectly
  • #4154 - Cannot select bonds when we add molecule with addFragment, setMolecule or Paste from clipboard
  • #4255 - Hand tool coordinates on canvas calculated are not correct
  • #4167 - Migrate to Indigo v1.18.0 in-browser module

Ketcher v2.16.0 December 11, 2023

05 Mar 12:20
2948e64
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What's Changed

This release includes several bug fixes and new features. Please be aware Ketcher 2.16.0 has been tested with Indigo version 1.16.0 (standalone and remote).

  • #2370 - erase tool for macromolecules editor
  • #2367 - Ability to move items on the canvas
  • #2994 - Attachment points should be within S-Group brackets
  • #3229 - Run macromolecules e2e tests on ci
  • #3276 - Remove 'Edit attachment point...' from right-click context menu
  • #3230 - Support parsing KET file for macromolecules on ketcher side
  • #3221 - add shortcut shift+tab for switching selection mode
  • #3323 - Update schema.json for atom query specific properties
  • #3298 - Add simple atom query primitives to the query specific properties
  • #3326 - Add text field for query SMARTS advanced features
  • #3347 – Horizontal scroll appears after opening certain structures
  • #2518 - Update project npm dependencies to remove vulnerabilities
  • #3328 - Add bond custom query field
  • #2909 - movement of structure ceases when it reaches the boundaries of canvas requiring the consistent movement of mouse to continue its motion
  • #3129 - Full template preview following mouse cursor
  • #3338 - New S-Group type Query component level grouping
  • #3372 - Update customQuery for bonds using topology
  • #3040 - Provide additional logging
  • #3371 - Merge ring bond count, degree and atomic mass atom properties
  • #3340 - Make any atom and atom list part of the Atom properties
  • #3004 - Allow to select items from the Favorites tab
  • #3088 - Rotate monomer attachment point to bond direction
  • #3174 - RNA Bases are filtered wrong
  • #3339 - Add empty options for atom charges and isotops
  • #3387 - Save atom properties for atom list in ket format
  • #3398 - When you save atom in ket format with substitutionCount greater then 6 , it is impossible to open it
  • #3293- Reduce the amount of flaky and failed tests
  • #3408 - When insert a smarts with two query groups after inserting smarts with one query group error appear
  • #3445 - Atom properties "Substitution count" and "Ring bond count" convert incorrectly to custom query
  • #3431 – warnings appear while saving any structure as daylight smarts
  • #3250 - Rna monomer accordion library should open from top to bottom
  • #3459 - All atom attributes should be displayed as SMARTS if at least one purely SMARTS attribute exists
  • #3393 - Add new keyboard shortcut "ctrl+alt+V" for pasting as SMARTS
  • #3502 - Custom query is not correctly represented on canvas - only atom number is displayed
  • Macro: #3250 - Rna monomer accordion library should open from top to bottom
  • Macro: #3280 - Displaying a long peptide chain on a canvas. Snake-like layout
  • Macro: #3373 - Rotate Attachment Point Unused
  • Macro: #3041 – RNA Builder. Delete presets
  • Macro: #3385 - Overlapping of bonds between 2 monomers
  • Macro: #3251 - Rna preset name should be autofilled when user selects rna parts
  • Macro: #3420 - Monomer does not move on first click and drug
  • Autotests: #3436 - Autotests: query attributes for SMARTS
  • Autotests: #3581 - add tests for missed test cases based on done tickets for smarts
  • Autotests: #3170 - reduce the number of tests with fixme
  • Autotests: #3169 - Open and Save files (InChi)
  • Autotests: #3204 - Charge Tool
  • Autotests: #3189 Templates - Salts and Solvents
  • Autotests: updated playwright version
  • Autotests: #3100 - Selection Tool->Bond Properties and Select All
  • Autotests: #3089 - autotests functional groups lookup abbreviations
  • Autotests: #3271 - Save files
  • Autotests: #3168 - Open and Save files (Mol-files)
  • Autotests: #3319 - Actions with structures
  • Autotests: #3303 - Open and Save files (CDX)
  • Autotests: #3054 - create autotests for default settings verification
  • Autotests: #3108 - Clean Tools and Layout
  • Autotests: #2884 create autotests for mapping/unmapping and reaction tools
  • Autotests: #3359 File management - open and save files
  • Autotests: #3016 - create autotests for easy to implement TCses
  • Autotests: #3289 - Clear Canvas
  • Autotests: #3411 - Create autotests for chain tool
  • Autotests: #3416 - editing tools and zoom
  • Autotests: #2885 - Create autotests for atom tools
  • Autotests: #3053 Autotests limited automation cases for atom tool
  • Autotests: #3429 - Multiple Group
  • Autotests: #3052 - editing tools zoom test cases
  • Autotests: #3386 - Functional Groups
  • Autotests: #3377 - Reagents - CML file format
  • Autotests: #2924 - test cases for functional groups and toolbar
  • Autotests: #3400 - Toolbar
  • Autotests: #3181 - Open and Save files (RXN)
  • Autotests: #3318 - Create autotests for attachment point tool
  • Autotests: #3186 – rectangle selection tool
  • Autotests: #3185 -Lasso Selection Tool

Ketcher v2.18.0 February 27, 2024

05 Mar 12:38
491f3c0
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What's Changed

This release includes several bug fixes and new features. Please be aware Ketcher 2.18.0 has been tested with Indigo version 1.18.0 (standalone and remote).

  • #3582 - AP are shown after closing modal
  • #3585 - APs are redrawn incorrectly after opening the modal window
  • #3583 - selected AP is duplicated while drawing the bond
  • #3551 - macro oxygen cannot be a leaving group in a chemical reaction
  • #3553 - macro while pulling bond onto monomer a preview is shown when hover monomer
  • #3610 - performance issues after selecting and moving large amount of monomers
  • #2414 - fix for bonds creation broken after merge of undo/redo task.
  • #3604 - macro preview window of micro structure shows pieces of macro structures
  • #3563 - Modal window for connecting attachment points does not match the design
  • #3614 – Add API method to check, whether a query structure is selected
  • #3651 - different coordinate systems are used in micro and macro mode
  • #3640 - macro after reloading the page monomers added to the favorites section disappear
  • #3830 – Aromatizing/Dearomatizing changes molecula position
  • #3833 - Chirality query property is missing from context menu
  • #3872 - Add support for all query properties in Mol V2000
  • #3685 – Implement add/remove explicit hydrogens
  • #3846 - macro class field is absent after serialisation to ket
  • #3915 - Pasting does not work in Firefox browser at all
  • #3914 – Add support for opening structures in CDX format embedded into MS PowerPoint
  • #3914 - Add support for opening structures in CDX format embedded into MS PowerPoint
  • #3949 - Parameter "sgroups" does not appear in .ket file if a S-Group is applied to structure along with molecule
  • #2177 - library.svg removal
  • #3967 - Exception if you paste from clipboard using Ctrl+Alt+V (Smile insert)
  • #3961 - system disorganize molecules and labels during loading from pptx file (base64 cdx format)
  • #3934 - Support selection entity selection flag in KET format
  • #3970 - Brackets are displayed incorrectly when a S-Group is added to an atom or an expanded Functional Group or Salt is added to an atom of a structure
  • #4045 - System doesn't save selection state for custom query bonds
  • #4048 - Right-click menu appears away from structure or is not visible at all on canvas
  • #4008 - design implementation is different from the reference design
  • #4091 - Zoom menu does not appear if ketcher injected in popup
  • #4097 - Cursor position misalignment after switching in fullscreen after changing ketcher settings
  • #4082 - Canvas preview render work at 14 times faster in Firefox than in Chrome
  • #4128 - Adding hydrogens moves molecules to the center of the screen
  • Macro: #3559 - The full screen button is in a place that doesn't match the design
  • Macro: #2414 - macro undo and redo tool
  • Macro: #3598 - Fix CI test command and unit tests
  • Macro: #2414 - "Undo and Redo" tool
  • Macro: #3530 - Labels in attachment points selection popup are small for large molecules
  • Macro: #3580 - Add possibility to expand "Select Attachment Points" Modal
  • Macro: #3495 - Is not possible to add RNA presets into the Favourite library
  • Macro: #3222 - Enumeration of linear and branch chains
  • Macro: #3630 - restrict micro and macro structures merging
  • Macro: #3531 – provide save/open ket and molv3000 ketcher api for macromolecules
  • Macro: #3601 - attachment points aren't disappearing in snake viewed chain of peptides when hovering them multiple times
  • Macro: #3469 add snake bond algorithm .md
  • Macro: #3633 – undo/redo does not toggle snake mode
  • Macro: #3635 - Misalignment of monomers when imposing on top of each other
  • Macro: #3601 – attachment points aren't disappearing in snake viewed chain of peptides when hovering them multiple times
  • Macro: #3691 - Ket file does not include atom numbers associated with the leaving groups after saving
  • Macro: #3718 - Pressing Snake mode button causes exception
  • Macro: #3719 - Unable to load from file: System throws Convert Error! error message
  • Macro: #3660 - After removing the abbreviation in micro mode and switching to macro mode, the monomer disappears
  • Macro: #3702 - 'Uncaught DOMException' error in DevTool console after switch from Macro to Micro mode
  • Macro: #3651 - different coordinate systems are used in micro and macro mode
  • Macro: #3766 - Incorrect attachment point labels parsing from ket
  • Macro: #3719 - Unable to load from file: System throws Convert Error! error message
  • Macro: #3787 - System allow to connect block to already occupied connection (that cases invalide saved files)
  • Macro: #3666 - After opening a file in macro mode, structure is not in center of the screen and need scroll to find it
  • Macro/Micro: #3738 - Switching from Macromolecules view to Molecules view causes crash if custom aromatic hydrocarbon was connected with monomer
  • Macro: #3900 - The last letter in RNA Builder name field cannot be deleted
  • Macro: #3899 - Attachment points do not disappear when hover is removed from some monomers.
  • Macro: #3545 - N- C-ends /5' - 3' - ends display in peptide /RNA chains
  • Macro: #3874 - R2 label is displayed on attachment atom instead of leaving group in monomer preview
  • Macro: #3756 - Loading from file and than - Undo changes causes exceptions and breakes selection/moving fuctionality
  • Macro: #3712 - Pressing Layout/Clean Up button cleanup all macromoleculas from canvas
  • Macro: #3667 – Monomers are stacked and difficult to read after importing a file
  • Macro: #3692 - Leaving groups are not displayed correctly in preview when switching to Micro mode
  • Macro: #3820 - System doesn't close Save dialog after Save button pressed
  • Macro: #3703 – Selected monomer does not appear above the others
  • Macro: #3786 - Connection works wrong
  • Macro: #3757 - Save to file and than Load it back eliminate monomer names from preview tooltip
  • Macro: #3713 - Hot keys for toolbar buttons are not implemented in Macromoleculas view
  • Macro: #3815 - Change the color of the occupied attachment points from orange to dark green
  • Macro: #3853 – cannot erase entered text in the search box in monomer library
  • Macro: #3981 - Monomers are positioned below bonds that connect them
  • Macro: #4014 - Monomers (attachment points) cannot be connected by a bond in Firefox browser
  • Macro: #3917 - Lack of consistency in hotkeys between micro and macro mods and absence of tooltips with information about hotkeys
  • Autotests: #3454 - peptide monomer library
  • Autotests: #3579 - refactor - removing unnecessary folder
  • Autotests: #3451 - rna monomer library and rna builder
  • Autotests: #3632 - autotests macromicro switcher
  • Autotests: #3436-autotests query attributes for smarts
  • Autotests: #3565 - Selection Tool

Ketcher v2.17.0 December 25, 2023

05 Mar 12:21
1721faa
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What's Changed

This release includes several bug fixes and new features. Please be aware Ketcher 2.17.0 has been tested with Indigo version 1.17.0 (standalone and remote).

  • #3203 - Structure shifting to upper left corner during zoom operations
  • #2869 - Preview of monomer structures on canvas
  • #3442 - Unused attachment points labels overlaps
  • #3554 – Implicit hydrogens for aromatised structures containing Sulphur
  • #3544 – option to disable custom query feature
  • #3643 - Error appears in DevTool Console after call 'ketcher.setSettings' before templates initialization
  • #3636 - Atom display changes to SMARTS notation when any of the Query Properties, such as Aromaticity, Ring membership, Ring size, or Connectivity, is selected.
  • #3729 – When merging rings, they are added to canvas at a distorted angle
  • Macro: #3443 - Incorrect displaying of monomer attachment point number
  • Macro: #2453 -"Clear Canvas" tool
  • Macro: #2883 - Modal window to select AP while connecting monomers
  • Macro: #3489 - Preview for monomer does not disappear and prevents you from selecting menu in RNA Builder
  • Macro: #2369 - "Zoom" tool
  • Macro: #2987 - switching between ketcher mode and ketcher macromolecules mode
  • Macro: #3498 - When switching from the Macromolecules module to the Molecules module an application crashes
  • Macro: #3509 - RNA tab view while opening the RNA tab
  • Macro: #3539 – When pull bond away from monomer and press 'Escape', bond remains on canvas
  • Macro: #3525 - Wrong usage of AP when establishing a bond between monomers r1 and r2 r2
  • Macro: #3475 – Change RNA-preset configuration
  • Macro: #3509 - RNA tab view while opening the RNA tab
  • Macro: #3542 - after hiding the library panel a residual strip remains concealing content on the canvas
  • Macro: #3469 – Snake bonds should be displayed from/to attachment point for R1 and R2
  • Macro: #3041 – RNA Builder. Delete presets.
  • Macro: #3497 – the "Library" inscription and the "Hide" button are at same height
  • Macro: #2925 - Support monomers connection dragging AP
  • Macro: #3457 – support import/export mol v3000
  • Macro: #3538 - New created preset does not draw on canvas
  • Macro: #3537 - default presets do not appear back after cleaning search field
  • Autotests: #3474 - Atom settings
  • Autotests: #3107 – template manipulations
  • Autotests: #3441 - Template Library
  • Autotests: #3448 - reagents
  • Autotests: #3099 - atom properties
  • Autotests: #3523 - Floating windows
  • Autotests: #3367 - Create autotests for Load Fragment
  • Autotests: #3104 - Create autotests for simple objects
  • Autotests: #3103 - Text Tool

Ketcher v2.15.0 November 6, 2023

06 Nov 15:36
0617499
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What's Changed

This release includes several bug fixes and new features. Please be aware Ketcher 2.15.0 has been tested with Indigo version 1.14.0 (standalone and remote).

  • #2838 – Bonds between atoms are not centered and not drawn symmetrically
  • #2962 – Refactor request: rename attpnt and add type annotation on it
  • #3094 – Toolbars are not visible when browser zoomed in
  • #3114 – Add support for exporting to InChiKey file format
  • #3128 – When dragging and dropping a Functional Group onto the structure, numerous errors appear in the console
  • #3119 – The typo in the word "Sciences" and the incorrect spelling of "EPAM" inside the section "About"
  • #3075 – replace aromatize and dearomatize icons
  • #2623 – Two dividing line between 'Edit...' and 'Single' bond in Bond context menu
  • #3070 – Add support for exporting to sdf file format
  • #3124 – Remove dividers for items in the same group in bond context menu
  • #2389 – Bracket is missing when opening a file RXN v2000/v3000 files with 'S-Group Properties Type = Multiple group'
  • #3140 – Add query options to right-click menu
  • #3114 – Add support for exporting to inchikey file format
  • #3019 – ignorechiralflag setting is not regarded for templates
  • #3143 – Modify context menu when right-clicking on an atom and attachment point
  • #3224 – Appearing label near the Template after choosing any option in the "Edit" or "Query properties" tab in the context menu disappears when clicking on the canvas
  • #3248 – Files with the format InChIKey should be saved with the extension ".inchikey"
  • #3208 – Structure disappears after pressing 'Layout' and the app crashes
  • #3284 – Application crashes after selecting an attachment point and pressing the right mouse button
  • #3024 – Can't copy/paste structure with Repeat count when the number of bonds/atoms is more than 999
  • #3462 – Layout should not be called if there are coordinates in extended smiles

Ketcher v2.14.0 (November 2, 2023)

03 Nov 07:36
17b516b
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What's Changed

This release includes several bug fixes and new features. Please be aware Ketcher 2.14.0 has been tested with Indigo version 1.14.0 (standalone and remote).

  • #2958 – Atom label disappears after updating R-Group attachment point to none
  • #2742 – Attachment point selection edition and deletion
  • #2833 – Lookup Abbreviations window disappears when user change browser tab
  • #2595 – draw selection outline correctly for hovered structures
  • #1859 – Save structure window: formats in drop-down list is not ordered
  • #2679 – Highlight colors for Simple Objects do not match the new design
  • #2982 – ignore abbreviation lookup for repetitive keystrokes
  • #2911 – Add all-scroll for selected structure
  • #3022 – Some structures from Template library have incorrect chiral flag
  • #3000 – remove unused code in the ketcher-core
  • #2679 – Highlight colors for Simple Objects do not match the new design
  • #2957 – Incorrect order of Hydrogen symbol in abbreviation of the atoms when adding them to the structure
  • #2332 – Add peptide monomers to canvas (by click)
  • #2963 – Copy/Cut/Paste + Undo/Redo makes objects appear randomly on the canvas, their initial amount increases
  • #2642 – Refactoring request: remove duplicate shared utils functions
  • #2912 – fix memory leak for ketcher when it is opened inside modal
  • #2793 – Selection tool: Incorrect selection view
  • #2948 – Bond thickness is not changed via Ketcher API
  • #3091 – Cannot open CDX files on Mac
  • #2541 – missing tool word for arrow filled triangle
  • #2939 – Merge preview of abbreviated structures
  • #3133 – Merge preview stops appearing after hovering over a terminal atoms
  • #3209 – expand the number of ignored keys for abbreviations lookup
  • #3238 – Enhanced stereochemistry is disabled via right-click for stereocenters after pasting structure through API in Ket format

Ketcher v2.13.0 (September 28, 2023)

28 Sep 07:39
8cbf456
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What's Changed

This release includes several bug fixes and new features. Please be aware Ketcher 2.13.0 has been tested with Indigo version 1.13.0 (standalone and remote).

  • #2765 – Introduce to .ket file specification attachment point information for super atoms
  • #2600 – Preview peptide monomers in Library
  • #2854 – Multiple repeating S-groups: limit on maximum count
  • #2128 – Automatically adjust zoom when opening a structure
  • #2751 – RNA builder. Collapsing panel with RNA components
  • #2779 – Add automated tests
  • #2902 – Fix test failures in 'localhost' environments due to design changes
  • #2009 – Incorrect positioning of data s-group labels
  • #2467 – update documentation about the RGroup attachment points
  • #2760 – Snap partially selected structure to an attachment bond when rotated
  • #2111 – Position newly added bond so that mouse cursor is over its atom
  • #2774 – Structure with r group isnt opened
  • #2817 – Rotation tool: cancel rotation by pressing 'right click' button
  • #2790 – Missing warning message when pasting copied structure via the "Paste" button
  • #2854 – Multiple repeating S-groups: limit on maximum count
  • #2128 – Automatically adjust zoom when opening a structure
  • #2765 – Introduce to .ket file specification attachment point information for super atoms
  • #197 – Attachment points should be within R-Group brackets
  • #2916 – Allow zoom change via ctrl+scroll
  • #2078 – Center molecules after layout
  • #2933 – Migrate to Indigo v1.13.0-rc.1 in-browser module
  • #2940 – No modal windows are opened during R-Group adding
  • #2966 – Error message after opening saved png file
  • #2949 – Attachment points should be within S-Group brackets
  • #2985 – Ctrl+Scroll for zooming is not working
  • #2989 – Error message appears when copypaste structure with s group properties functional groups and salts and solvents
  • #3006 – The canvas view moves in the direction of the cursor
  • #3025 – Stereo flag is separated from the structure and each time you click on 'Layout' button zoom decreases
  • #3097 – Apply auto zoom and centering for api
  • #2849 – When zoom out or zoom in, atoms and templates are located not under the mouse cursor
  • #3176 – Drawing gets broken after dragging a Functional Group onto an atom

Ketcher 2.12.0 (August 11, 2023)

11 Aug 14:56
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What's Changed

This release includes several bug fixes and new features. Please be aware Ketcher 2.12.0 has been tested with Indigo version 1.12.0 (standalone and remote).

  • #2471 – When you try to add a structure to a canvas with an expanded functional group, an EDIT ABBREVIATION window appears
  • #2650 – Move renderStruct function from ketcher-react to ketcher-core
  • #2625 – Rotation tool: cancel rotation by pressing "Escape" key
  • #2632 – Refactoring request: improve Editor tools in 'ketcher-react'
  • #1905 – Refactor Render class: convert raphaelRender.js to TypeScript and add necessary types
  • #2423 – Hotkeys for atoms don't work on Functional Groups and Salts abbreviations
  • #2689 – Make cyclopentadiene ring systems fusion without valence errors
  • #2584 #2750 – Selection tool: add flip and delete buttons & Rotation Tool: non-selected end of the selected bond should be the rotation center
  • #2599 – Rotation tool: label rotation
  • #2447 – peptide monomer library
  • #2165 – Change attachment point visualization to IUPAC style
  • #2745 – move selected structures using arrow keys
  • #2626 – Move Icon and IconButton components to ketcher-react and re-use the same icons
  • #2766 – Can not open .rxn files with S-Group properties
  • #2773 – refactoring request remove warnings from build logs for linters
  • #2780 – Add ability to run a project under windows os without using unix subsystems
  • #2753 – Snap arrows to horizontal and vertical orientation
  • #2781 – Refactoring request: restrict usage of "any" type and not-null-assertion for new code
  • #2731 – Lookup abbreviations using the keyboard
  • #2738 – Migrate to Indigo v1.12.0 in-browser module
  • #2707 – Update ketcher toolbar UI styles
  • #2753 – Snap arrows to horizontal and vertical orientation
  • #2467 – Ketcher needs to correctly parse and represent attachment point information for super atoms for mol v2000 format
  • #2804 – Selected Atom appears in the left upper corner of canvas
  • #2803 – When user moves mouse, there is a constant update in the '3D Viewer' window
  • #2812 – Tooltip for Data S-Group does not appear
  • #2810 – Part of the structure disappears when opening a contracted Superatom with multiple connection points
  • #2824 – tooltip for sl button is showing custom template instead structure library backmerge
  • #2805 – horizontal and vertical flips are working incorrectly (affect position) with some atoms, texts and functional groups
  • #2825 – The structure when moving with arrows on the keyboard disappears beyond the edges of canvas
  • #2806 – All inner space of selected Functional Group is highlighted if structure selected via CTRL+A
  • #2839 – Buttons have changed their position on the toolbars and margin and padding of toolbars are increased
  • #2837 – Programmatically scroll buttons do not appear
  • #2865 – Incorrect display of carbon in attachment points for functional groups
  • #2864 – Incorrect display angle of attachment points for functional groups
  • #2867 – Incorrect display of the 'tBu' functional group
  • #2879 – Incorrect display of attachment points for some Functional Groups

Ketcher 2.11.0 (July 10, 2023)

10 Jul 08:31
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This release includes several bug fixes, performance improvements and new features. Please be aware Ketcher 2.11.0 has been tested with Indigo version 1.12.0 (standalone and remote).

What's changed

  • #2653 Migrate to Indigo v1.12.0-rc.1 in-browser module
  • #2088 Selection Tool: use rounded rectangles for selection of bonds and atom labels
  • #2213 Data S-Group: 'Field value' text when placed on a structure becomes hard to access
  • #2566 Improve page loading performance
  • #2576 Right click menu shown for highlighted Functional Group instead of clicked
  • #2619 Add ketcher api method getCDXml() for retrieving molecule in CDXml format
  • #2127 Change esc behaviour logic for selection tool
  • #2597 Rotation tool: fix selection box for expanded s-groups
  • #2596 Rotation tool: Use steps for increasing/decreasing the size of the rotation wheel
  • #2340 Sliders changed to checkboxes in 'Settings'
  • #2463 Rotation Tool: display predefined rotation angles and current angle
  • #2517 Incorrect rendering of superatom with multiple connection points
  • #2512 Toolbar arrow is active after the Ketcher with iFrame is loaded and disappears when you click on it
  • #2492 Add a function to detect when opened file is loaded
  • #2288 Tooltip appears after dragging abbreviation and stay on canvas until release click
  • #2276 Click & drag an 'Atom' on FG, Salts and Solvents, FG connected with Atom forms many atoms
  • #1835 Extra textarea is shown, when Ketcher is not full-screen
  • #2460 Structure on canvas becomes 'undefined' when atom is hovered and Functional Group selected using hotkey
  • #1994 Salts and Solvents: Edit notification appears instead of replacing new Salt or Solvent
  • #2267 Using Template Tool, Salts and Solvents should replace Atoms, Functional Groups, and Salts and Solvents
  • #2428 Atom letter is drawn at the cursor after user selects structure/part of structure on the canvas and then click atom on the toolbar
  • #2490 When atoms are selected, pressing atoms hotkey opens a modal window instead of an instant replacement
  • #2196 The Save button is active for empty canvas
  • #2483 Pressing Clear Canvas with Reaction Arrow under mouse cursor causes errors in DevTool console
  • #2090 Selection Tool: support rotation using in-place handle
  • #2411 Move to vite from react-app-rewired for example project development build
  • #2379 Can't open v3000 mol file with assigned Alias
  • #1997 RXN 2000 and 3000 import: When importing, the structure becomes unreadable
  • #2383 When hovering over a data s-group label - hover rectangle should appear around it and tooltip should be shown
  • #1930 Reagents: When opening Daylight SMILES and Extended SMILES files with reagent the original structure is distorted bug externalIssue depends on external services such as Indigo service
  • #2376 Edit abbreviation window doesn't appear when user trying to add structure to a functional group or salt, allowing user to modify it
  • #2449 Structure with R-Group isn't opened correctly from v3000 mol file
  • #2335 Structure with R-Group Fragment Tool pasted into square brackets of the copied structure
  • #2655 Add dynamic load for Miew
  • #2624 Rotation tool: incorrect selection box for s-groups
  • #2669 Atom placed with atom tool have incorrect hover border
  • #2634 S-Group Polymer label has character limit
  • #2694 Improve performance of Templates Modal
  • #2681 Calculate CIP: stereolabels appears under structure
  • #2679 Highlight colors for Simple Objects do not match the new design
  • #2683 Missing circles to expand reaction arrows by
  • #2680 Reaction arrow and text don't rotate with rotated objects
  • #2717 Tooltip for S-Group appears in upper left area of canvas
  • #2719 Preview images for Functional Groups and Salts and Solvents are less readable
  • #2734 Tooltip for Multiple group and SRU Polymer appears in upper left area of canvas