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Ketcher Web-based chemical structure drawing software
4.7
Ketcher
Solution Overview
Ketcher is web-based 3D chemical structure drawing software. Open-source and free for non-business use, it is the trusted choice for chemists, laboratory scientists, and technicians across the globe. Designed specifically for professionals who draw structures and reactions, Ketcher offers high performance, portability, and seamless integration into your custom web application.
Benefits
Efficiency
Fast 2D and 3D structure representation allows for quick and accurate work
Customization
Extensive library of standard and custom user templates lets you work your way
Advanced Calculations
Perform complex calculations with ease
Compatibility
Compatible with multiple operating systems and no server support is required
Ease of Use
User-friendly with an intuitive interface with minimal training requirement
Complete Support
From stereochemistry to reactions, S-Groups, and R-Groups, you are covered
Features
- Chemistry Editing: Experience fast 2D structure representation that satisfies common chemical drawing standards. Ketcher enables you to add atom and bond properties, query features, aliases, and generic groups with ease.
- 3D Structure Visualization: Visualize your work in 3D with our state-of-the-art structure visualization tool.
- OCR: Recognize structures from pictures (image files) and reproduce them with our innovative OCR feature.
- Import and Export: Ketcher supports the import and export of Molfile/Rxnfile as well as SMILES, ensuring smooth data transfer.
- Stereochemistry: Ketcher provides complete stereochemistry support during the editing, loading, and saving of chemical structures.
- Reactions: Our software offers full-featured reaction support including reacting centers, atom flags, and AAM.
- S-Groups and R-Groups: All major S-Group types are supported including generic, SRU polymers, multiple groups, superatoms, and data S-Groups. R-Site and R-Fragment assignment is supported, as well as attachment point specification and R-Logic.
- Structure optimization tools: Automatic layout (clean up), AAM (atom-to-atom mapping) and (de)aromatization
- Macromolecules mode: This mode enables users to work with monomers and RNA presets, combine them into polymer chains, create antisense chains, import/export of different formats (HELM, SCSR/MOL V3000, Sequence, FASTA, IDT, Ket)
Is This the Right Solution for You?
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Customer Ratings & Reviews
4.7
Based on 137 votes
Most recent reviews
September 15, 2022
What I like most about Ketcher is:
- it's web-based,
- it's open source,
- has high performance,
- template library feature.
Author: Mohammed Manning
April 25, 2022
I really like Ketcher! It's a great tool for chemists, laboratory scientists, and technicians who need to draw structures and reactions.
Author: Evan Burrows
Work Better Together
Use Indigo to make all features Ketcher has on the backend available.
Ketcher
Web-based chemical structure drawing software
Questions & Answers
How can I test and install Ketcher?
Posted on July 22, 2020 by Shaun Holmes
First, install Indigo using installation notes. Then, follow DEVNOTES to build Ketcher from existing sources.
Posted on July 23, 2020 by SolutionsHub Support
Where can I ask questions about the Ketcher product?
Posted on May 11, 2020 by Alex O
If you encounter issues, please follow the general, bugs and dev topics on Google Groups, create a ticket on Github, or send an e-mail to [email protected].
Posted on May 12, 2020 by SolutionsHub Support
Can I use Ketcher in commercial products?
Posted on February 3, 2020 by Mark
Yes. Ketcher version 1.0 was released under AGPLv3 license, and Ketcher version 2.0 is distributed under Apache License v2. Apache License v2 is allowed to be used in commercial products, including in the redistribution of a whole product. The only requirement is that one must include the copyright and license of Ketcher.
Posted on February 5, 2020 by SolutionsHub Support
Want to know more? We’re here for you.
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categories
Tech Requirements
- Google Chrome 32+
- Internet Explorer 11+
- Microsoft Edge
- Firefox 38+
Version
Updated on April 17, 2025
Documentation
Version History
v3.2.0
Updated on April 17, 2025
Release Notes
New features
- #6215 – Introducing the snap to angle and standard bond length for monomers connected via bonds
- #6252 – Allow creation of antisense chains in sequence mode
- #6383 – Introduce the creation of DNA antisense chains
- #6355 – Change attachment points of backbone monomers in automatically created antisense chains
- #6254 – Update the representation of sense and antisense chains in sequence mode (2/2)
- #6284 – Long bonds for uneven double stranded sequences in snake and flex modes
- #6527 – Add ability to pass coordinates to Ketcher addFragment and setMolecule API to position provided structure
- #6357 – Allow insertion of phosphates (p) from the keyboard in sequence mode
- #6596 – Update Indigo to 1.30.0 in browser module
Bugfixes and improvements
- #6219 – Unable to save to HELM hydrogen connection between micromolecule (with AP) and monomer
- #6005 – Move the dot indicating a modified phosphate in sequence mode
- #4145 – Implement popup versions of Ketcher (and routing)
- #5700 – System allows to establish infinite number of bonds from monomer to microstructure
- #6534 – Adding nucleotide to the last position having phosphate in antisense causes exception: ReferenceError: process is not defined
- #6402 – Hydrogen bonds misaligned due to antisense strand direction change when opening or pasting a structure in Macro Mode
- #6464 – Splitting chain with Enter key doesn't work
- #6425 – Hiding of number indicators while in sync editing mode when the triangle overlaps with the number
- #6535 – Unable to add nucleoside to the end of sequence if hanging antisense monomer present
- #6561 – Switching to macromolecules changes CSS in the page
- #6369 – System doesn't switch Library tab to proper one if user changes typing type using keyboard shortcuts
- #6627 – Fix invisible snapping drawings after switching to micro mode
- #6621 – Fix monomer snapping wiping monomer labels
- #6608 – API setMolecule moves molecule off-canvas on second call
- #6607 – README missing coordinate units for setMolecule and addFragment API methods
- #6539 – System should add same thing in antisense chain but not connect it with H-bond if it is not nucleotide/nucleoside
- #6624 – Enter key in single-strand edit mode incorrectly breaks both chains instead of only one
- #6632 – New sequence appears gray after clearing the canvas in non-sync mode
- #6631 – Sync mode causes incorrect letter input after adding a monomer in non-sync mode
- #6606 – Adding nucleotide to the last position having phosphate in antisense works wrong
- #6531 – System can't add nucleotide between phosphate and nucleotide in antisense chain
- #6617 – Empty element appears after undoing line deletion in Sequence mode and switching to Flex/Snake mode
- #6609 – System creates ambiguous RNA nucleotides instead of DNA ones in case of DNA antisense stand creation
- #6615 – Missing warning message when deleting all hydrogen bonds between two chains
- #6619 – System doesn't create antisense phosphate if it situated to the left from nucleotide
- #6623 – Sense and antisense chains switch places during editing based on monomer count
- #6443 – System allows to select single antisense symbol that causes an error if it got deleted
- #4002 – getSmiles and getSmarts on query feature containing aromatic ring raises an error
- #6709 – Unable to paste HELM from clipboard to the canvas. System throws an error: Convert error! option manager: Property "sequence-type" not defined
- #6723 – Forbid moving sequence nodes and snapping by select rectangle tool
- #6729 – Create RNA/DNA Strand doesn't work for B, K, Y and S ambiguous bases
- #6750 – Incorrect R1 attachment atom for natural Ribose (R) in the library
- #6759 – Add pruning of the remaining transient views on clear canvas button click
- #6795 – Incorrect properties of some monomers in the library
- #6829 – Add monomers to the library
- #6786 – Add monomers from HELM Core Library to Ketcher Library
v3.1.0
Updated on March 27, 2025
Release Notes
New features
- #6167 – Long bonds for linearly displayed circular structures
- #5942 – Update the representation of sense and antisense chains in sequence mode (1/2)
- #5995 – Synchronize the library tab with typing type switcher in sequence mode
- #6222 – New chain tool behavior
- #6246 – Import indigo with EXPORT_ES6 & USE_ES6_IMPORT_META options
- #6417 – Update Indigo to 1.29.0 in browser module
Bugfixes and improvements
- #6164 – Changing any parameter at Settings cause Undo/Redo work wrong (or delete undo history)
- #6166 – Color schema for Favorites tab at RNA Library is wrong for Peptides
- #6088 – Disable create antisense strand option if antisense-less base present in chain selection
- #5696 – Adding Attachment point to microstructure already connected to monomer - causes problems
- #6201 – Circular hydrogen bond connection between three (or more) chains, those hydrogen bonds isn't considered as side chain connection for layout purposes
- #6195 – Nucleotide wrongly become antisense oriented if have hydrogen connection to sugar
- #6194 – Unknown monomer and CHEM overlap to each other if both are the side chain for same chain
- #6422 – Long bond appears behind monomers when using attachment points
- #6084 – System doesn't allow select ambiguous monomers from the library
- #6085 – Changing of ambiguous base via RNA Builder on Sequence mode causes sequence corruption
- #6098 – Adding second chain with antisense chain to the canvas cause layout problem
- #6446 – System shouldn't merge two antisense chains if separator monomer got deleted
- #6447 – System doesn't split chain pair on two if - symbol deleted
- #6460 – Troubles with switching to Edit mode if - symbol present in sequence
- #5780 – Connection points appear visually disconnected when moving monomers in Flex and Snake mode
- #6462 – Adding peptide between RNA and - symbol breaks sense/antisense chain
- #6456 – Long bond appears behind the structure after Copy-Paste in Flex Mode
- #6471 – Removing peptide from sense/antisense chain cause unnecessary phosphate removal
- #5780 – Connection points appear visually disconnected when moving monomers in Flex and Snake mode
- #6493 – Undo of deleted bond on sequence mode causes "ghost" monomer appearance on the canvas
- #6505 – Hotkey CTRL+ALT+P does not switch library to Peptides
- #6628 – Add export of ketcher-standalone esm module as cjs
- #6159 – Aromatizing doesn't work for Pyridone and Pyrone (molecules from Template library)
- #6588 – Peptide sequence not pasting directly on canvas
- #6661 – Adjust ketcher-standalone entrypoints to work for all builders
v3.0
Updated on February 17, 2025
Release Notes
New features
- #6034 – Make macromolecules switcher enabled by default
- #6029 – Enter flex mode when macromolecules mode was not entered in before and there is a drawing on canvas
- #6027 – Support for single atom properties in macromolecules mode
- #6028 – Support all remaining types of bonds from small molecules mode in macro molecules mode
- #6227 – Update indigo to 1.28.0 in browser module
Bugfixes and improvements
- #5978 – Entire element bounding box should be clickable, not only black dots
- #6127 – Hover mouse over ambiguous monomer on Micromolecules canvas causes app crash
- #5476 – Copy/Cut and Paste using Ctrl+C/X and Ctrl+V doesn't work for static elements in Mozilla Firefox
- #5317 – Some side chain bonds are not shown in Sequence mode for bases, CHEMs, phosphates and sugars
- #5796 – Indigo functions doesn't work if monomer on micro canvas - system throws an error: Error: Cannot deserialize input JSON.
- #5032 – Selection of monomers should disappear when the user moves the cursor
- #5139 – After pressing the Clear Canvas button in sequence-editing view, the Enter button does not start a new sequence but erases it
- #5231 – Canvas should remain in edit mode if we insert monomer from the library
- #5795 – Undo operation doesn't work for monomer at micro mode if it was deleted - system throws exception in console
- #6112 – System opens "intellisence"-like dropdown control in unnecessary case
- #5663 – Movement of microstructures on Sequence mode doesn't work
- #4533 – After inserting a nucleotide in the Text-editing mode, the cursor blinks in the wrong place
- #6026 – Bond length is different for monomers loaded from HELM and from the library
- #4723 – When pressing Enter, a user can create new sequences in the “Modify RNA Builder” mode
- #6022 – Side chain attachment point shown in wrong place in Snake mode
- #5341 – Replacing all monomers (or part of them) in edit mode - works wrong - system cuts sequence on two
- #5670 – Structural distortion occurs during multi expand and multi collapse of macromolecule abbreviations in micro mode
- #6021 – Connection between molecule and monomer does not affect an amount of implicit hydrogens
- #5115 – Switching from Sequence mode to Flex mode and back shifts visible area of canvas beyond visible frame.
- #4526 – In the Text-editing mode, the canvas is not moved to make the newly added sequence visible
- #6240 – Export to 3-letter sequence doesn't work
- #6235 – Incorrect representation of hydrogens for alias charge valence and radical properties in macro mode
- #6034 – Combine two editors in ketcher-react package in order to make macro switcher enabled by default
- #6247 – Update the help document
- #3627 – Ketcher requires unsafe-eval in order to run, which contradicts content security policy best practices
- #6344 - Excessive scroll appears in macromolecules mode in canvas if Ketcher is inside dialog window
- #6291 - Super G and Super T monomers do not load from a saved RXN V3000 file
- #6370 - Inconsistent zoom behavior when inserting a molecule via setMolecule and Paste from Clipboard/Open from File
- #6375 - Ketcher renders editor twice in dev mode
- #6379 - Ketcher does not respond if switch to macromolecules, close popup with ketcher and open again
- #6411 - Ketcher structure copy-paste in KET instead of MOL
- #6196 - Ambiguous DNA bases (N, D, H, W) wrongly converted to DNA bases on antisense creation
- #6106 - Two sense chain to one antisense connection render
- #6272 - Cursor position after adding preset in sequence mode causes an incorrect sequence formation
- #6132 - System should not re-layout canvas in case of antisense creation
v2.28.0
Updated on February 17, 2025
Release Notes
New features
- #5678 - Introduce creating antisense chains
- #5925 - Layout for antisense chains in sequence mode
- #5712 - Update snake layout logic taking into account hydrogen bonds
- #5990 - Extend Ketcher API to allow updating monomers library
- #5630 - Mark all modified monomers on canvas (flex and snake modes)
- #5629 - Mark modified amino acids on canvas in sequence mode
- #5854 - Add "Copy to Clipboard" to the export window
- #5618 - Ketcher doesn't trigger change event in macromolecule mode
- #5515 - Add ketcher calculate values API
- #6008 - Update indigo to 1.27.0 in browser module
Bugfixes and improvements
- #5873 - Export to ket (and getKET function) change incrementally internal IDs every call
- #5270 - Warning should not displayed for importing CDXML, base64 CDX
- #5351 - Inform User to Apply Layout after Settings Adjustment
- #5931 - Copy/Cut-Paste functionality not working for microstructures in Macro mode
- #5982 - Label shift problem for ambiguous monomers
- #5954 - The reaction with catalysts is displayed incorrect with ACS style setting and after layout
- #4352 - Gap between button and drop-down list of Macro modes
- #5855 - System reset micromolecule canvas settings to default if switched to Macro mode and back
- #5974 - Paste to canvas recogniton logic should be changed
- #3813 - Page auto jump to top when ketcher editor inited
- #5988 - Exception when modifying a functional group after adding a Ketcher editor subscription
- #6068 - Same chain configuration imported by different HELM layouted differently (anyway - both are wrong)
- #6089 - Antisense creation doesn't work for the chain if not eligable base present in other chain presented in selection
- #6061 - RNA chain remain flipped after hydrogen bond removal
- #6067 - Two chains connected by H-bond arranged wrong if third bond present on the canvas
- #6070 - System doesn't flip chain if connected to monomer but not to base
- #6074 - System doesn't flip chain if connected to monomer but not to base (2)
- #6080 - System doesn't flip chain if connected to monomer but not to base (3)
- #6075 - In case of multipal H-bonds system should arrange antisence chain to first base of bottom chain
- #6076 - Two-to-one base H-bond connection layouted wrong
- #6077 - H-bond is not alligned to Snake mode view in some cases
- #6081 - Smaller chain should be at the bottom
- #6087 - Antisense layout is wrong for any ambiguouse base from the library
- #6097 - System creates antisense chain only for top chain if many of chains selected
- #6102 - System keeps antisense base layout and enumeration even after chain stops being antisense (and vice versa)
- #6105 - Layout works wrong if bases of the same chain connected by H-bonds
- #6086 - Unable to create antisense chains for ambiguous monomers from the library
- #6107 - Create Antisense Strand doesn't work in some cases
- #6096 - Antisense creation works wrong in case of partial selection
- #6109 - Antisense of layout doesn't work on flex mode after load
- #6083 - Creation of antisense chain causes monomer re-arrangement on the flex canvas
- #6115 - Lets get back to U (instead of T) for the complementary base of A
- #6129 - Undo operation creates unremovable bonds on the canvas (clear canvas doesn't help)
- #6161 - Stereo flags are displayed despite enabling 'Ignore chiral flag' in MOL V2000 files
- #6185 – Make SGroups expandable while placed within a chain
v2.27.0
Updated on January 13, 2025
Release Notes
New features
- #5354 – Apply new hash spacing setting to canvas
- #5579 – Introduce Hand tool for macromolecules mode
- #5590 – Zoom in macromolecules mode should be in relation to the top left corner of the structures
- #5403 – Introduce hydrogen bonds in macromolecules mode
- #5600 – Zoom in automatically upon import of small sequences
- #5637 – Display hydrogen in atom label for molecules in macromolecules mode
- #5556 – Allow import and export of sequences with three letter amino acid codes
- #5640 – Multiple monomers expansion in micro molecules mode
- #5187 – Introduce new amino-acid colors
- #6174 – Update indigo to 1.26.0 in browser module
Bugfixes and improvements
- #5370 – System should remember the canvas mode on Molecules/Macromolecules mode switch (do not switch to Sequence by default)
- #5372 – Toggling between Flex and Sequence modes causes losing layout info
- #5564 – Search of ambiguous monomers doesn't work
- #4475 – Numbers on top of letters are not centered
- #4936 – Applying Enhanced Stereochemistry to monomers causes it to disappear from the canvas (and exception in console)
- #4941 – System shows Edit S-Group option for every bond of molecule if it has attachment point
- #5181 – getKet duplicates items when macro molecules are use
- #5398 – Elliptic arrow icons order is wrong at arrow toolbar
- #5935 – Unable to establish hydrogen bond connection if monomer has no free attachment points
- #5941 – Hydrogen bonds remain in place on monomer delete
- #5940 – Copy/paste operation works wrong (copy only two hydrogen bonds and drops others)
- #5933 – Error message is wrong if user tries to establish hydrogen bond if it already exists
- #5967 – System should not change monomer position after switching from Molecules to Macromolecules - Sequence
- #5972 – Export to three letter amino acid codes cause convert error
- #5969 – Load from file having only microstructures on macro canvas causes unnecessary zoom up to 200% and shift molecule to top left angle
- #5970 – Unable to connect monomer to molecule in snake mode
- #5949 – Delete of micro molecules bonds works wrong (or doesn't work)
- #5910 – Fix closest sgroup detection to allow focusing on entities within expanded monomer's bounding box
Github link: https://github.com/epam/ketcher/releases/tag/v2.27.0
v2.26.0
Updated on November 20, 2024
Release Notes
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 symbols 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 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 microstructures on macro mode
- #5679 – Unable to establish connection between microstructure 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 – Microstructures 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 multi-tail validation in KET format
- #5413 – Can't add specific SVG image to Canvas in Mozilla Firefox
- #5434 – Document creation and behavior 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 microstructure and macro-ones
- #5848 – Unable to establish connection between microstructure 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 isn’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
Github link: https://github.com/epam/ketcher/releases/tag/v2.26.0
v.2.25.0
Updated on October 10, 2024
Release Notes
New features
- #4884 – Implement preview display for monomer bonds
- #4554 – Support ambiguous monomers in Ketcher (flex mode)
- #4556 – Support of ambiguous monomers in sequence view
- #4557 – Support of ambiguous monomers in small molecules mode
- #5186 – Add ambiguous monomers to the library and allow their addition to the canvas
- #4555 – Preview for ambiguous monomers
- #5224 – Implement preview in connection modal for ambiguous monomer
- #4872 – New approach and UI for switching between types in sequence mode
- #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 user’s 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
Github: https://github.com/epam/ketcher/releases/tag/v2.25.0
v2.24.0
Updated on September 11, 2024
Release Notes
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
GitHub: https://github.com/epam/ketcher/releases/tag/v2.24.0
v2.23.0
Updated on August 5, 2024
Release Notes
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 allows 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 do 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
GitHub: https://github.com/epam/ketcher/releases/tag/v2.23.0
v2.22.0
Updated on July 23, 2024
Release Notes
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 allows 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 do 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 browse
- #5335 - The application crashes when selecting Enhanced Stereochemistry from the right-click menu
GitHub: https://github.com/epam/ketcher/releases/tag/v2.22.0
v2.21.0
Updated on July 3, 2024
Release Notes
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
v2.20.0
Updated on May 9, 2024
Release Notes
New main 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
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