sort/filter modal - push to explicit search result
Store search result in tag
auto-named
capture search criteria - likely in Discourse thread
create snapshot in project - makes the Discourse thread very obvious
tag becomes endpoint for download (addresses ticket #651 )
(some) cheminformatics formalisms
2D sketcher
programming power, e.g. RDkit command-line query entry -
needs clear scoping (!!!)
Nir's questions - probably out of scope for Moonshot MVP, because it's still fragment sets.
When looking at set of fragment hits from a screen:
- What interactions repeat themselves often
- What are the merge opportunities (i.e. look at each pair together)
- Where is the nearest Cys residue
- How pockety is the structure nearby (i.e. change to surface representation)
- Compare backbone conformations of protein across bound set
Some thoughts:
we need a mode where fragments and backbones turn on/off automatically when they enter/exit a sphere around the centre (like electron density)
same as above but for different criteria, e.g. interactions, waters, etc.
From Jan 2023:
Lazy-loading, backend-serach
Proper ID navigation (LHS & RHS)
Need better tools to find what you're after.
Will need a bit more brain-picking of users.
Certainly:
Nir's questions - probably out of scope for Moonshot MVP, because it's still fragment sets.
Some thoughts:
From Jan 2023: Lazy-loading, backend-serach Proper ID navigation (LHS & RHS)