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Biostructure Viewer changelog

1.4.3 (2025-09-16)​

  • Fix caching for PdbGridCellRenderer

1.4.2 (2025-04-17)​

  • Error handling for ligands and semtype check fix

1.3.3 (2025-02-06)​

    • #3244: BsV: Does not maintain opened structure file

1.3.2 (2025-01-21)​

Fix for renderers in non-grid views

1.3.1 (2025-01-09)​

Support PDB-ID renderer in tooltips

1.2.4 (2024-11-29)​

Features​

  • GROK-11759: BsV: Switch molecule representation (cartoon, balls and sticks)

Bug Fixes​

  • BsV: Initialize properties before setting the data
  • BsV: Implement resizing for the Mol* viewer within widgets
  • BsV: Resolve styling issues when building view without data

1.2.3 (2024-11-22)​

Moved Context menu items to detector

1.2.2 (2024-10-32)​

Fix opening files

1.2.1 (2024-09-26)​

Bump dependencies bio lib version

1.1.2 (2024-09-02)​

Bug fixes​

  • MolstarViewer: Fixed styling issues when toggling the expanded viewport
  • MolstarViewer: Enabled fullscreen mode when toggling the expanded viewport
  • BiostructureViewer: Integrated the 3D structure panel into the context panel, replacing the previous docking to the view

1.1.1 (2024-06-10)​

Bug fixes​

  • Fix .pdbqt parser assuming ROOT for MODEL
  • Fix .pdbqt to .pdb sorting atoms, add tests
  • Fix default representation to ball+stick for small molecule
  • Fix awaitNgl, test NgGlService/pdb
  • Fix MolstarPreview open .mmcif

1.1.0 (2024-05-01)​

Use generalized cell renderer on async renderer base

1.0.27 (2024-04-15)​

Fix the description for Docking Conformations demo

1.0.26 (2024-03-30)​

Features​

  • #2707: Add original and canonical to monomer

1.0.25 (2024-01-29)​

Features​

  • MolstarViewer optimize buildView postponed, destroyView detach only

Bug fixes​

  • Fix MolstarViewer tests
  • Fix BiotrackViewer for arbitrary data frame error
  • Fix MolstarViewer test error Unsupported file extension bcif
  • Fix MolstarViewer for pdb_data test

1.0.24 (2024-01-24)​

Bug fixes​

  • Fix error on right click on row header, test

1.0.23 (2024-01-19)​

Features​

  • View for imported structures allows display controls
  • Display input field to open structure on empty Biostructure viewer.
  • Add pdbqt parser, convert to PDB, tests
  • Pdbqt parser for models (poses) and target, tests
  • Pdbqt import handler
  • Context menu Download, Copy for Molecule3D grid cell
  • Add Molecule3D ligands for Biostructure viewer
  • Add PdbHelper converters parsePdbqt, molToPdb, pdbqtToMol with NGL
  • Add NgViewer support formats other than PDB
  • Add column descriptions to Demo Docking Conformations
  • Add layout to Demo Docking Conformations
  • Add AutoDockService
  • Add Molecule3D detector for pdbqt units
  • Split to Docking package

Bug fixes​

  • Fix caching for PdbGridCellRenderer
  • Fix MolstarViewer for Molecule ligands, tests
  • Fix pdbGridCellRenderer, test
  • Fix NglGlDocService to not miss tasks, refactor, handle errors, restore by timeout count limit
  • Fix MolstarViewer for dataFrame detach
  • Fix MolstarViewer usages to dispose WebGL on view closing. Could not create WebGL program
  • Fix NglViewer ensure create, waits first render
  • Fix MolstarViewer ensure create, waits canvas3dInit
  • Fix AutoDock to support atoms of a ligand
  • Add AutoDock test
  • Fix MolstarViewer, NglViewer tests for IRenderer.awaitRendered
  • Fix MolstarViewer for retaining ligand
  • Add tests for pdbqt from autodock-gpu
  • Add pdbqt tests and sample data
  • Add func/BiostructureViewer.autoDockApp
  • Fix Demo to check empty data
  • Fix import pdbqt to open poses with receptor
  • Fix pdbqt parser for an element and atom type
  • Fix pdbqt parser to get autodock-gpu scores
  • Fix PdbGridCellRenderer, NglGlDocService to not mix cells
  • Fix MolstarViewer to handle ligandColumnName changed
  • Add test MolstarViewer for pdb_data with cell Click
  • Add test MolstarViewer for pdb_id, data provider
  • Fix biostructure data provider to return JSON string
  • Add test biostructure provider with binary data (bcif)

1.0.11 (2023-07-24)​

Dependency: datgarok-api >= 1.15.2

Features​