ChemDoodle Web Components & Verold
How do they compare?
Lab3D
Method 1
Lysome mechanism
Method 2
Method 1
made with
ChemDoodle Web Components
Method 2
made with
ePMV or mMaya, and
Verold
+
Method 1
ChemDoodle Web Components
A Javascript library for chemical graphics & cheminformatics
18 components
Specialized <canvas> classes
var molecule = ChemDoodle.readPDB(PDBfileContentFromServer);
var component = new ChemDoodle.ViewerCanvas('component', 100, 100);
component.loadMolecule(molecule);Add script where you want the component to appear
Customize appearance
"Chemically intelligent"
I'm Alexa Fluor 488
Method 2
ePMV or mMaya, and
Verold (or Unity?)
Molecular graphics plugins for 3D graphics software
3D content web
publishing platform
Retrieve structures from PDB
Customize molecule appearance through UI
Drag-and-drop 3D assets
Handles mesh and animation optimization
Customize scene through UI
Attach event handlers
Create custom functionality with three.js
Method 1
ChemDoodle Web Components
Method 2
ePMV or mMaya, and
Verold (or Unity?)
Pros
- Chem. intelligent
- Faster for simple molecule display
- Well-documented
- More complex scenes
- Custom animations
- No coding required
Con
- Limited to chemical files
- Little community support
- ePMV/mMaya ~buggy
- Cannot use sim data for animations
Use ChemDoodle to do chemistry,
and ePMV/mMaya + Verold for everything else
melanie_burger@imagineeringart.com
@melaniebrgr
slides.com/mbrgr/how-to-molecule
Questions?
How to get a molecule on your website: abbridged version
By mbrgr
How to get a molecule on your website: abbridged version
A description and comparison of tooling, and how to get molecular data in the first place.
