ChemDoodle Web Components 4.6.0 has been released. This update provides Lewis Dot Structure rendering in 2D components, a new MovieCanvas3D component to play molecule movies, a XYZ file reader and several other minor additions and fixes.
- Lewis Dot Structures can now be rendered in 2D components. This is achieved by setting the Atom.numLonePair variable for atoms. The sketcher now contains tools for adding and removing lone pairs.
- A new component, MovieCanvas3D, will play molecule movies, given a set of Molecule data structures that represent the frames of the animation. You can control the speed of the animation, and several playback modes are provided. You can see the tutorial page for this component here.
- Added an XYZInterpreter class to read molecule data from XYZ files.
- The PyMOL color set for atoms is now provided in the ELEMENT array, and can be used with visual specifications identically to using the Jmol color set.
- Updated glMatrix to version 1.2.3.
- Scaling 3D scenes is now more consistent as the scaling magnitude is now a function of the dimensions of the displayed structure.
- Eliminated the notch that could be seen in between bonds in some cases when the “Line” representation was being used.
- “Line” representation can now be used with residue visual specifications in PDB files.
- Fixed bug where charges were not shown on carbons without shown labels.
- Fixed issue where Atom.altLabel could not be set to the number 0.
- Lone atoms represented as dots will now correctly display their label when the atoms_showAllCarbons specification is true.
- Fixed bug where pinch gestures on the sketcher on mobile devices were throwing errors.
- Fixed bug where help icon was nonfunctional on mobile devices if the scale of the sketcher was not 1.
- Minor code improvements and optimizations.