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Ketcher v2.16.0 December 11, 2023

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@rrodionov91 rrodionov91 released this 05 Mar 12:20
· 722 commits to master since this release
2948e64

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