3Dmol.js

Update rendering engine to use a single, shared OffscreenCanvasRenderer (if available). This should eliminate lost WebGL context errors for most cases. Improved antialiasing. Support colorscheme updates on surfaces. Add show/hide methods to labels. Add maxpixels option for outline mode to limit the screen space width of the outline. Improved VASP file parsing.

Ambient occlusion view style (enable with setViewStyle or as part of viewer configuration). Better antialiasing. More robust viewer regeneration. A few other tweaks.

This release has fairly significant changes in the rendering pipeline that may cause problems with older devices (but not on any I have access to). Please report any device/browser issues.

Better handling of lost contexts. Dependency clean-up.

Implement support for binary CIF and switch to using it as a the default source for fetching from PDB. Various other small improvements.

Dashed bond drawing contributions from @dxdc, code improvements from @prajwalkulkarni, assorted improvements to visualizing CIF files in the unit cell (include ability to wrap individual atoms to cell), more robust handling of lost contexts, assorted other bug fixes.

Add support for user configurable bond radius scaling of double/triple bonds.

Fix issues #724, #726, #727. Contribution from @randyn (#728).

Bug fixes: Issues #722, #723, #709 , #721.

Improved typing from @adithyaakrishna. Surface workers should function more robustly in name mangling workflows.

Minor tweaks, mostly developer focused.

Minor bug fixes and tweaks. Code improvements from @donbyron02 and @Luthaf

Various fixes for 2.0.

showNonBonded option for sticks (show nonbonded atoms as spheres)

assignBonds method for GLModel and option for replicateUnitCell

This is a massive refactoring of the code base that may (unintentionally) break things.

• Now written in TypeScript
• jquery no longer used or included
• new build system (webpack) with better tools (code coverage and testing)
• custom linear gradients now supported
• improved cartoon quality
• hbondCufoff parser option
• can now pause animation

Many thanks to @RyanGuild , @angel4576 and @tjakubiec218 for their contributions.

This is a massive refactoring of the codebase into typescript. This release candidate is to enable broader testings. Use at your own risk (and report issues!).

Possibly breaking changes: reordered arguments in py3Dmol.view so you can do py3Dmol.view('1ycr') to easily display your desired molecule. Changed how javascript is assembled to temporarily disable amd for better functionality in amd situations.

Allow style to be set with style strings (e.g., can do 'sphere:colorscheme~greenCarbon' instead of creating a dictionary).

Fix for memory usage from @dumplings

Resolved display issues reported in Issue #548 .

Added support for creating an animated PNG from an animation (apng in py3Dmol).

Assorted fixes.

Bug fixes: RWB gradient midpoint issue, more robust handling of lost canvases, orthographic stick fix, documentation tweaks.

GSoC @jaxmatrix contributed a built-in viewer/style editor that can be enabled in the embedded viewer by specifying data-ui='true'.

Preliminary support for non-ortho boxes with volumetric data. Support for pruning volumetric data by a selection. Added ability to have gradient backgrounds in labels to make colorbars. Add ability to provide coordinates as an array in setCoordinates (makes for nice interface with python generated coordinates in py3Dmol).

Possible fix for memory leak in notebooks, assignBonds parser option, py3Dmol improvements, spectrum option in viewer, fix cartoon quality bug.
Contributed bug fixes from @camilacanhete (eye separation), @mindon (vasp parsing), @Luthaf (wheel).

Issues #530 #520 #440 #439 #366

Better cube parsing. Memory fix from @lidaof. Anti-aliasing fix for linux hi-def screens. Support for rgb color format. Additional tests and documentation tweaks.

Better support for reapplication of vibrate. Lattice parsing for xyz (thanks to @pvstishenko). Speed option for spin (thanks to @BradyAJohnston). backgroundalpha embed option. screenToModelDistance viewer function. Minor code and documentation tweaks.

Implement coloring an isosurface by a different volume data (e.g. isosurface drawn from electron density, colored by electrostatic potential).
setCameraParameters from @Luthaf. Several bug fixes, documentation tweaks, and added tests.

Various bug fixes and documentation improvements.