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CHANGELOG.md

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Changelog

Version 1.0

  • SUPPORT ipywidgets 7.0 and drop ipywidgets 5.2
  • UPGRADE: NGL v1.0.0-beta.4
  • SUPPORT: Jupyterlab v0.27
  • ADD: show_biopython
  • ADD: show_iotbx
  • ADD: show_rosetta
  • ADD: show_file
  • ADD: add_slice
  • ADD: add_buffer
  • ADD: add_label
  • ADD: movie making
  • ADD: set_coordinates for ComponentViewer
  • FIX: nglview install always overwrite
  • SUPPORT: widget serialization and sphinx-jupyter
  • ADD: write_html

Version 0.5.2

  • ADD: nglview command line for quickly opening notebook.
  • ADD: add_text to display
  • FIX: view.background assignment.

Version 0.5.1

  • FIX: correctly handle player when adding a structure first
  • FIX: cleaned-up outdated notebooks

Version 0.5

DOI

  • ADD: basic use of binary messages for faster coordinate data transfer
  • ADD: updated to newer NGL version, (e.g. orthographic camera, anti-aliasing, much faster rendering, ...)
  • ADD: view.delay property to adjust trajectory playback
  • ADD: show_url function for loading & viewing from an url
  • ADD: view.hide() and view.show_only() convenience methods
  • ADD: show_rdkit function to view rdkit Mol objects
  • ADD: view.clear() for clearing all representations
  • ADD: view.add_unitcell(), support for the new NGL unitcell representation
  • ADD: automatic creation of attributes: view.trajectory_0, view.trajectory_1, view.component_0, ...
  • ADD: specify component index in view.add_representations, view.clear_representations
  • ADD: drag and drop files into widget
  • ADD: extra TrajectoryPlayer widget available via view.player
  • ADD: view.camera property (perspective and orthographic, new in NGL)
  • ADD: view.background property to change the viewer background (color name or hex value)
  • ADD: view.orientation property to synchronize cameras of two viewer widgets
  • ADD: view multiple trajectories via view.add_trajectory(), view.add_component()
  • ADD: view.download_image() to render high quality image and trigger download in browser
  • ADD: view.render_image() to render image for display in the notebook
  • ADD: view.center_view() to center
  • ADD: select atoms by their indices, given as a List
  • ADD: shortcuts for view.add_representation (view.add_cartoon, view.add_rope, ...)
  • ADD: ParmEdTrajectory adaptor and show_parmed function to view ParmEd objects
  • ENH: view.add_trajectory now accept pytraj.Trajectory, mdtraj.Trajectory, MDAnalysis.Universe, parmed.Structure
  • ENH: view.add_representations now accepts keywords in both snake_case and CamelCase
  • ENH: smoother trajectory playing
  • ENH: smoother rendering when adding new representation
  • MIGRATION: change html/static to js/
  • MIGRATION: change sending base64 to binary coordinates
  • MIGRATION: change view.trajectory to view.trajlist
  • MIGRATION: change get_frame_count method to n_frames property
  • MIGRATION: remove get_coordinates_dict
  • FIX: symlink error

Version 0.4

DOI

  • ADD: Convenience methods to show widget from various sources
  • ADD: PyTrajTrajectory adaptor
  • ADD: MDAnalysisTrajectory adaptor
  • ADD: NGLWidget.add_representation() method
  • ADD: append a "WebGL not supported message" to widget if so
  • ADD: parameters widget property, passed to NGL stage object
  • ADD: params property for Structure, dict passed to NGL
  • CODE: be less noisy when importing nglview
  • DOC: more usage examples, API description
  • DOC: added CHANGELOG file
  • BUILD: added example files in the package

Version 0.3

DOI

  • MIGRATION: Trajectory classes need get_frame_count method
  • MIGRATION: removed set_frame method use new frame property
  • ADD: simple trajectory player
  • ADD: widget resizing support
  • ADD: picking support (gui info; picked property)
  • CODE: check for file existence in FileStructure and SimpletrajTrajectory

Version 0.2

  • MIGRATION: changed get_string to get_structure_string
  • MIGRATION: changed get_coordinates to get_coordinates_list
  • DOC: usage, interface classes
  • ADD: MDTrajTrajectory adaptor
  • CODE: added interface classes
  • CODE: suggested packages; mdtraj, simpletraj

Version 0.1

  • initial version, no release