Structure-oriented object model

[jaimergp]

Let's start thinking of the requirements we will have. From our previous meeting on early July, we have these action items:

CC @schallerdavid @WG150

• JRG/DaS/WG @ Fri
  • API foundations for structural objects
  • Start with MDAnalysis and implement idea tree in meeting notes -Investigate the design conversion as we go
• JRG/AV/DaS @ in two weeks
  • Sequence renumbering discussion
• JG/DaS/AV @ some point
  • Dunbrack conformations
• WG/DaS/tbd @ some point
  • Loop modelling
  • Homology modelling

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We will probably a lazy featurization scheme like in the ChEMBL notebook, either in real time, or via pre-featurizing everything offline and then accessing the providers to get data from disk on demand.

[jaimergp]

Bring in https://github.com/inspiremd/kinomodel, studying the overlap to decide whether we bridge via our object model, or absorbe it completely.