CalCraven
commented
3 years ago Title Slides:
- I would use this as a way to promote the collaborators to MoSDeF and some of the important work generated using this ecosystem. This includes a very clear representation of what TRUE stands for and some explanation of why it's so important.
- This section could also include a brief summary of how to interact with the slideshow, if we deem things a bit complex an unintuitive.
mBuild Slides:
- We already have it, but showing how easy it is to visualize and play around with an mBuild compound is key.
- I would also like some brief little representation of the hierarchical nature of building up a compound and how that makes putting it together so easy, almost like legos.
- We can also show how easy it is to initialize a box of that compound, or perhaps show this by solvating a protein molecule.
- Highlighting the list of recipes.
- How easy it is to generate a structure file
Foyer Slides:
- Showing the forcefields we already have provided, and maybe showing the extent of molecules we can cover.
- How you might add to a forcefield using SMARTS definitions
- How the overwrites logic allows for matching
- Applying a forcefield to different molecules in a structure (related to residues).
GMSO Slides:
- Ease of parsing and visualizing a gmso topology object
- Custom potential Forms
- Writing out to simulation engines.
umesh-timalsina
This can be a thread where we can discuss some of the content we would want represented in this slideshow. For now, I would break things down into five sections: