Ketcher 2.16.0

What’s Changed

Here are the updated release notes with links to the corresponding issues:

  • #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: #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 Toolbar – Layout should not be called if there are coordinates in extended smiles