Currently the cloud view shows scaffolds only, it is difficult and cumbersome to identify the associated molecules. There are different ways to add support for molecule depiction within the view:
- Add a button that replaces the scaffold depiction by a multi-page molecule view just as implemented for the scaffold tree view.
- Provide a separate molecule cloud for each scaffold that is shown, e.g., when double-clicking a scaffold.
- Integrate the molecule cloud in the current view as final level of semantic zoom. The molecules should than be shown within the bounding box of their scaffold. This should best be done with Ertl's layout (without similarities and adapated to the fixed aspect ratio of the bounding box of the scaffold).
Solution 1. should be very easy to implement; soultion 3. could be fancy and its implementation should also be feasible.
Diff:
Nice ideas. In many discussions, the cloud comes up as an interesting tool for analysis (which has to be validated in practice...), but some features are missing. Being able to quickly see the molecules on demand is the most stated one.