# Biostructure Viewer changelog

## v.next

* Added Protein-Ligand Interactions feature: ProLIF-based interactive LigNetwork diagrams + per-residue breakdown in the context panel for Molecule3D, PDB_ID, and AutoDock-pose cells, with a "Compute for whole dataset" batch that produces a `PL Diagram` (rawPng) column and per-interaction-type count columns

## 1.4.4 (2025-11-11)

* GROK-13650: DemoFiles: Bio: Some ngl formats are broken

## 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](https://github.com/datagrok-ai/public/issues/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

* `Molecule3D`, `PDB_ID` semantic type
* [Biostructure](https://datagrok.ai/help/visualize/viewers/biostructure) viewer (Mol* based)
* [NGL](https://datagrok.ai/help/visualize/viewers/ngl) viewer
* [Molecule3D](https://public.datagrok.ai/apps/Tutorials/Demo/Bioinformatics/Proteins) cell renderer
* Biostructure and NGL viewers support [Molecule](https://datagrok.ai/help/develop/domains/chem/cheminformatics) column
  for ligands
* File handlers for file [formats supported by Molstar or NGL](https://datagrok.ai/help/access/files/supported-formats)
