We need a component that explicitly defines the solvent / environment of a system.
Examples use cases:
Defining the system box + solvent molecules that a ligand will sit in
Defining the a system box + membrane + solvent that a protein + ligand will sit in
Potential user facing behaviour:
Pass in a PDB with all the necessary polymers & solvent + SmallMoleculeComponent for the ligand
This then creates "ProteinComponents" for the protein + lipids + a SolventComponent with the necessary box dimensions that doesn't attempt to add any more waters + SmallMoleculeComponents for the small molecule ligands
We need a component that explicitly defines the solvent / environment of a system.
Examples use cases:
Potential user facing behaviour: