Releases: epam/ketcher
Releases · epam/ketcher
Ketcher v2.26.0 November 20, 2024
What's Changed
This release includes several bug fixes and new features. Please be aware Ketcher 2.26.0 has been tested with Indigo version 1.25.0 (standalone and remote).
New features
- #5400 – Expand macromolecules in micro mode
- #5359 – Display molecules in macro mode: basic structures with atoms and bonds
- #5325 – Change natural analogue of monomers
- #5324 – Change symbols of monomers
- #5323 – Change names of monomers
- #5195 – Some content problems in monomer library
- #5111 – Change structure of monomers
- #4984 – Highlight atoms and bonds
- #4965 – View only mode
- #4986 – Ctrl+move copy
- #1838 – Create custom top toolbar buttons
- #5156 – Add new option in settings acs style
- #5154 – Change "Double bond width" setting
- #5175 – Allow entering values in settings with the precision of one decimal place
- #4982 – Choose both directions of wedged/hashed bonds from right-clicking the bond
- #5435 – Change bond length for ACS styles settings
- #5351 – Change the default size of a plus and the arrows
- #5945 – Update indigo to 1.25.0 in browser module
Bugfixes and improvements
- #5430 – Fix ESLint error in selectClearCanvasTool function
- #4983 – Settings for the "attachment point tool" don't update with changed pixel settings
- #4757 – Incorrect stereo-label placement for (E) and (Z)
- #5536 – White screen is displayed after change direction of wedge bond
- #5296 – Save Support for RDF Format
- #5615 – Overlapping UI elements in Query Properties right-click menu
- #4394 – In the Sequence mode, the tooltip “Start new sequence” is shown outside of the canvas
- #5651 – The reaction can't save to MDL RXN V3000 (returns RXN V2000 instead)
- #5597 – New rendering for highlight
- #5561 – Set a new name for the button acs style
- #5672 – Multiple duplicate items
- #5205 – Edit Connection points dialog can cause invalid connection between monomers
- #5709 – Unable to load variant sugar from HELM - system throws an error: Convert error! {}
- #5710 – Unable to load variant phosphate from HELM - system throws an error: Convert error! {}
- #5711 – Unable to load variant CHEM from HELM - system throws an error: Convert error! {}
- #5621 – O and U sumbols are not supported in sequence mode
- #5612 – The file size is the same when saved to png
- #5634 – ketcher.getMolfile() stopped working for macro canvas with peptides
- #5649 – Default values for bond settings (at least for bond) got corrupted and become wrong after ver 2.26 version installed
- #4316 – In the Sequence and Flex mode the nucleotide preview is closely adjacent to the left edge of the screen
- #5557 – Bond/monomer tooltip preview placed wrong in on edge cases
- #5097 – Selection frame is displayed improperly for overlapped images
- #5148 – Image changes the layer to top after scaling actions
- #5581 – If switch to View Only Mode with Fragment Selection you cannot change or select another selection mode
- #5657 – Clear canvas doesn't work for micro structures on macro mode
- #5679 – Unable to establish connection between micro structure and macro ones
- #5401 – Side-chain connections are not displayed in Snake mode
- #5662 – Fix inability to select Erase tool after monomer expansion
- #5612 – The file size is the same when saved to png
- #5686 – Bonds between micro and macro structures couldn't be selected and deleted
- #5659 – Moving of selected microstructures on macro canvas works wrong
- #5665 – Show remove abbreviation dialog when trying to erase expanded monomer
- #5725 – Cursor position is incorrect when editing sequence in Macro mode
- #5800 – Application crashes with white screen in Macro mode when loading local storage data from a previous version
- #5758 – Highlight only bonds when selected bonds + atoms
- #5703 – Added tooltip for image resolution option
- #5673 – Micro structures connected to polymer chains are not shown on Sequence mode canvas
- #5650 – The reaction with catalysts is displayed incorrect with ACS style setting and after layout
- #5761 – Fix minimal distances for mult-tail validation in KET format
- #5413 – Can't add specific SVG image to Canvas in Mozilla Firefox
- #5434 – Document creation and behaviour of custom buttons
- #5776 – Add API Method getRdf for retrieving RDF representation of structures
- #5786 – Uncaught TypeError is in console when trying to move tail of Multi-Tailed Arrow added from KET with small size between tails
- #5753 – Issue with moving of tail of Multi-Tailed arrow with several tails when user needs to move the tail close to another one
- #5679 – Unable to establish connection between micro structure and macro ones
- #5848 – Unable to establish connection between micro structure and sugar or phosphate (and partially - unresolved monomer)
- #5703 – The picture is incorrect when image resolution high and bond thickness changing
- #5685 – The diagonal bond in the molecule is displayed incorrect with ACS style
- #5674 – Inconsistent behavior of copy-paste and cut-paste operations with macromolecule abbreviations
- #5658 – Incorrect selection behavior when using Selection tool on Macromolecule abbreviations
- #5699 – After bulk deletion of monomer abbreviations, Undo returns expanded monomers
- #5836 – R-Group fragment labels font size doesn't defined by Sub Font size property at Settings
- #5834 – S-Group (Data type) Field value label font size uses Settings - Font size property value instead of Sub font size one
- #5833 – Importing functional groups (e.g. Boc, Bn, CF3) ignores drawing settings (e.g. ACS style)
- #5809 – System opens wrong context menu for monomers on micro canvas if clicked on atom or bond
- #5887 – After save and load a MOL V3000 file in macro and micro mode, bond connections are changed, and the microstructures are shifted
- #5814 – On Remote environment, the reaction/molecule can't be saved to V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF
- #5886 – Loading a KET file in macro mode, bond connections are preserved but microstructures are shifted
Ketcher v2.25.0 October 10, 2024
What's Changed
This release includes several bug fixes and new features. Please be aware Ketcher 2.25.0 has been tested with Indigo version 1.24.0 (standalone and remote).
New features
- #4884 – Implement basic preview display for monomer bonds
- #4554 – Support ambiguous monomers in Ketcher (flex mode)
- #5186 – Add ambiguous monomers to the library and allow their addition to the canvas
- #4556 – Support of ambiguous monomers in sequence view
- #4557 – Support of ambiguous monomers in small molecules mode
- #4872 – New approach and UI for switching between types in sequence mode
- #4555 – Preview for ambiguous monomers
- #5224 – Implement basic preview in connection modal for ambiguous monomer
- #4861 – Introducing multi-tail arrows
- #4985 – Support retrosynthetic arrows
- #4853 – Search monomer in library by IDT
- #4926 – Add IDT alias to chem monomer
- #5244 – Add CHEMs to the library
- #5264 – Add amino acids to the library
- #5152 – Add new settings for ACS style
- #5560 – Update Indigo to 1.24.0 in browser module
Bugfixes and improvements
- #5200 – The users choice is not saved in the settings but is recalculated in px
- #4658 – Some bonds remain selected on export to SVG in Snake mode
- #5201 – it is not possible to enter a value when selecting cm inch pt manually in the settings
- #5454 – Export of variant monomers to Sequence/FASTA doesn't work for presets
- #5425 – Undo-Redo operations over ambiguous monomer causes broken canvas
- #5464 – Undo operation removes ambiguous monomer from the canvas but keep in the KET file export
- #5209 – Cancel of Edit Connection points dialog cause existed connection points eliminated
- #5453 – Circle with monomer number should be few pixels down
- #5427 – Preview tooltip for mixture ambiguous monomer shows wrong percentages
- #5466 – HELM inline SMILES monomer canvas color is wrong
- #5470 – Export of different mixed and alternatives peptides (with different proportions and percents) works wrong
- #5313 – Creation preset without phosphate causes R3-less sugars disabled in the library
- #5447 – Added fixed precision class, updated multi-tail calculations with fixed precision usage
- #5368 – An error appears in the Console, when dragging a bond between any monomers
- #4212 – Limit size of structures in preview
- #5473 – Export of different mixed and alternatives RNAs (with different proportions and percents) works wrong
- #5465 – Export of different mixed monomers (with different ratios) works wrong
- #5512 – System saves mixture ambiguous monomers as alternatives ambiguous monomers
- #5519 – Alias labels for mixed bases loaded from IDT are wrong
- #5521 – Sugar color is wrong if loaded from HELM with inline SMILES
- #5545 – After uploading a multi-character monomer in HELM format, abbreviations in sequence mode are cluttered together
Ketcher v2.24.0 September 10, 2024
What's Changed
This release includes several bug fixes and new features. Please be aware Ketcher 2.24.0 has been tested with Indigo version 1.23.0 (standalone and remote).
New features
- #4878 – Add/Replace monomer in sequence mode from library
- #4880 – Adjust previews – add APs, show IDT aliases for previews in sequence mode, increase debounce time
- #4888 – Enable editing sequences by click between symbols
- #4887 – Starting new sequences with "Plus" icon on canvas
- #4780 – Remove monomers from the library (Peptides and CHEMs)
- #5167 – Change natural analogue of monomers Peptides and CHEMs)
- #4787 – Change structure of monomers (Peptides and CHEMs)
- #5166 – Change symbols of monomers (Peptides and CHEMs)
- #4781 – Change names of monomers (Peptides and CHEMs)
- #4905 – Open Edit Connection Points dialog via right click on bond
- #4911 – Insert image from ket to canvas
- #4897 – Insert image to canvas via "Add image" tool, Select, Move and Scale the image
- #4981 – Support for SSR
- #4979 – Support for Strict mode
- #5190 – Include Indigo without render module into ketcher-standalone build process
- #5284 – Update Indigo to 1.23.0 in browser module
Bugfixes and improvements
- #4763 – It is possible to create forbidden RNA preset
- #4962 – Bond tool and Erase tool buttons have to be disabled in Sequence mode (since they are not applicable)
- #4659 – Export result SVG contains some labels that are selectable
- #4108 – There are no tooltips when hovering over each of the sequence modes
- #4806 – It is allowed to change bond type between micro and macro
- #4936 – Applying Enhanced Stereochemistry to monomers causes its disappear from the canvas (and exception in console)
- #5090 – The favorites icon overlaps unsplit nucleotide names in the RNA and favorites tab
- #4947 – Distance between unresolved monomer and preview tooltip is too large and it has no IDT alias
- #4957 – Disabled query features in extended table not disabled in right-click menu
- #5126 – The error appears in the Console, when connecting two unsplit nucleotides in Snake mode
- #4069 – Right-click context menu protrudes beyond edges of the Ketcher workspace
- #4806 – It is allowed to change bond type between micro and macro
- #5196 – An error appears in the Console when opening any section in the RNA tab
- #5242 – Replace phosphate at the end with peptide causes cycled polymer
- #5184 – Fix unresolved monomers bond establishing issue
- #4935 – Enumeration is missing for cycled unsplit nucleotides after load from file (KET/MOL doesn't matter)
- #5255 – Fix adding new monomers to canvas in sequence mode while editing RNA in builder
- #5245 – Replacement of peptide at the end of sequence on preset w/out base works wrong
- #5228 – System insert monomer from the library to the canvas even if it shouldn't (and error message is wrong)
- #5300 – Attempt to insert improper monomer from the library to the sequence causes wrong error
- #5301 – New preset creation process interferes with monomer replacement on the sequence mode
Ketcher v2.23.0 September 10, 2024
What's Changed
This release includes several bug fixes and new features. Please be aware Ketcher 2.23.0 has been tested with Indigo version 1.22.0 (standalone and remote).
New features
- #4852 – UX support for HELM import/export
- #4846 – Make Sequence view default in Macromolecules mode
- #4431 – Implement support of unresolved IDT monomers
- #4382 – Implement support of unsplit nucleotides
- #3532 – Displaying side chain connections in snake-like mode
- #4856 – Add new CHEM monomers to the library
- #2654 – Improve WASM loading performance
- #5083 – Update indigo to 1.22.0 in browser module
Bugfixes and improvements
- #4660 – Zero charge shows explicit 0 instead of blank after using A+/A- Tools
- #4801 – Cut operation for attachment points makes canvas inaccessible/unoperational and delete entire molecule
- #4636 – In the Sequence mode, when selecting elements on the canvas, the total number of elements is not displayed in the Right-click menu
- #4686 – After moving the structure in the Macro mode, in the Micro mode the S-group value is displayed separately from the structure
- #4823 – In sequence mode, each press adds two characters and when deleted, also removes two
- #4793 – Context menu for attachment point labels should contain only Delete option
- #4784 – Attachment point enumeration logic works wrong
- #4786 – Keyboard shortcut stops working after adding/removing attachment point
- #4607 – Inconsistent display of a separate phosphate in the sequence representation in the Sequence mode
- #4782 – It is possible to attach bond to attachment point label
- #4791 – System saves selection states of attachment point labels to KET file (it should not)
- #4837 – Library filter does not reset when switching between Micro and Macro mode
- #4833 – Support rendering multiple Ketcher editors on a page without an iframe
- #4773 – It is impossible to apply R-group to atom with attachment point attached
- #4927 – Able to change attachment point label to an atom if it is selected first
- #4925 – Unable to change atom to another if molecule has attachment point
- #4929 – System allow to change atoms inside S-group without removing abbreviation
- #4930 – Fix missing IDT aliases and label positioning for unsplit nucleotides
- #4889 – After using "Clear Canvas" in the Sequence mode and entering new sequence, extra structures are shown in Flex and Snake modes
- #4924 – RNA Preset without Base causes constant crash after switching to Macromolecules mode
- #4977 – System doesn't show side chain bonds if chain loaded directly to Snake-mode canvas
- #4997 – The second of three horizontal bond overlaps backbone connection line
- #4975 – Connection is displayed at the bottom of the row, if drag a horizontal side-chain connection between the extreme nucleotides of a row
- #5035 – Bonds in the snake chain are displayed differently after saving in ket format
- #5034 – When dragging the side chain connections between CHEM, all these connections pass exclusively from the left, and not the shortest path
- #4881 – When switching from Sequence mode to Flex mode, RNA abbreviations remain
- #4995 – The bottom horizontal bonds does not shift if there is an overlap
- #5074 – Switching from Sequence mode to Snake mode and back shifts visible area of canvas beyond visible frame. Forever.
- #5121 – Copy does not work in the firefox browser
- #5335 - The application crashes when selecting Enhanced Stereochemistry from the right-click menu
Ketcher v2.22.0 September 3, 2024
What's Changed
This release includes several bug fixes and new features. Please be aware Ketcher 2.22.0 has been tested with Indigo version 1.21.0 (standalone and remote).
New features
- #3934 – Support selection entity selection flag in KET format
- #4307 – Migrate Monomer library from MOL V2K to KET format
- #4388 – Allow Nucleoside of sequence edit in RNA builder
- #4427 – Store custom presets in browser local cache by
- #4495 – UI support for IDT import/export
- #4530 – Convert Rx connection points created in molecules mode into chem attachment points in macromolecules mode
- #4531 – Allow moving and connecting "small" structures in macro mode
- #4539 – Export macromolecules canvas as svg image
- #4692 – Cursors should be copied from small mode
- #4697 – Highlight connection point (change mouse cursor) on mouse hover
- #4311 – Send monomer library from Ketcher to Indigo upon monomers import/export
- #4530 – Add ability to define attachment points for molecules
- #4380 – Display IDT aliases in monomer library
- #4701 – Unify toolbars with small molecules mode
- #4530 – Add ability to define attachment points for molecules fixes
- #5391 – Migrate to Indigo 1.21.0 in-browser module
Bugfixes and improvements
- #3943 – System allow to create atoms with Charge value out or range
- #3501 – 3d mol files appear as 2D in Miew
- #4349 – Selection does not work in sequence editing with Shift+Up/Down arrow combination
- #4508 – In the Text-editing mode, when selecting nucleotides linked through phosphates R2-R2, an error appears in the Console
- #4340 – When adding new nucleotides to the beginning of a row, the order of the chains changes in the Sequence mode
- #4470 – Any click on toolbar buttons should cause cancel of "Modify in RNA builder" process
- #4479 – Quick double paste operation from clipboard leads to invalid entities on canvas
- #4488 – System doesn't allow duplicate same preset twice
- #4501 – The system allows you to paste on canvas while modifying nucleotides in the RNA builder
- #4640 – Presets saved to local storage appear on canvas after switching Macro/Micro modes
- #4615 – Implement sorting for RNA builder components
- #4543 – The cleared object is not returned by the Undo button in the Macromolecules mode.
- #4590 – RNA Structure is broken while we Copy from Macro and Paste to Micro canvas.
- #4509 – In the Text-editing mode, when inserting a fragment after pressing Ctrl+V twice, the cursor is moved to another row
- #3816 – Added validations and monomer Item disablement
- #4575 – New Sequences are created while we add cyclic to middle of sequence.
- #4693 – Incorrect bond alignment to tBu S-group
- #4730 – System doubles number of pasted monomers after switching from flex to sequence
- #4734 – Monomers from macro mode are not erased by Erase tool in micro mode
- #4690 – Undo problem while layout is changed on the Snack of Flex modes and switch through modes
- #4744 – When changing zoom level in macro mode, there is no percentage indication
- #4739 – Pasting IDT structures via clipboard does not work
- #4740 – Delete of cycled sequence from the canvas causes delete of another cycled sequence bond that makes it non-cycled
- #4764 – IDT label is not shown or shown but layout is broken after load sequence from ket
- #4726 – Delete of nucleoside symbol turns another nucleoside to nucleotide
- #4777 – Incorrect valence for carbon atom in ring with attachment point after saving and reopening file
- #4801 – Cut operation for attachment points makes canvas inaccessible/in-operational and delete entire molecule
- #4708 – Forbid merging cyclic sequences on delete in Sequence mode
- #4823 – In sequence mode, each press adds two characters and when deleted, also removes two
- #4824 – Cycled chain breaks sequence canvas and entire app
- #4839 – System loses connections to molecule R2 if there is no R1 attachment point
- #4836 – Molecule changes position after saving and opening from file
- #4840 – Paste from clipboard does not work for molecules in macro mode
- #4879 – Save to mol for micro and macro structures connected through attachment points works wrong
- #4973 – Connection between molecule and monomer lost after opening and saving to ket
Ketcher v2.21.0 June 28, 2024
What's Changed
New features
- #3734 - Displaying modified nucleotide chains in sequence representation
- #3824 - Modify nucleotides from sequence in RNA builder
- #4374 - RNA builder should be highlighted in Edit mode. Canvas should be disabled
- #3894 - Paste from clipboard in sequence mode
Bugfixes and improvements
- #4238 - getKet function return ket file without selection flags
- #4174 - Buttons in paste from clipboard window change their position when zoomed more than 175 percent
- #4172 - 'leavingGroup' section does not contain information about number of atoms
- #4144 - Connection of bond to atom inside s-group supergroup cause it connected incorrectly in terms of layout
- #3986 - Selected RNA preset not discards when mouse moved
- #3957 - Atom Query feature export System lost MOST Substitution count values export to Molfile
- #4356 - Clear canvas button doesn't work in Sequence mode
- #4454 - 'Update sequence' modal window: don't close RNA-builder after pressing 'Cancel' in modal window.
- #4455 - 'Update sequence' modal window: display the number of nucleotides to be changed
- #3919 - After pressing Snake mode, attachment points stick out in different directions and not attached to the bonds
- #3899 - Attachment points do not disappear when hover is removed from some monomers.
- #4487 - RNA builder: Cancel button doesn't work
- #4507 - When expanding structures, added to the canvas via Clipboard, an error appears in the Console
- #3843 - System doesn't filter out and do execute html tags and javascript in custom query feature text
- #3816 - RNA Builder allows creating an invalid preset with disconnected sugar
- #4399 - Different chains shown by the same sequence in sequence mode (system ignores sugar presence)
- #4405 - Switching to Sequence mode causes page freeze
- #4568 - Pasted sequences are not visible in the Snake mode
- #4548 - Cyclic chains disappear from canvas when try to Edit in the sequence mode
- #4508 - In the Text-editing mode, when selecting nucleotides linked through phosphates R2-R2, an error appears in the Console
- #4871 - Migrate to Indigo v1.20.0 in-browser module
Ketcher v2.20.0 April 30, 2024
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
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
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
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