Is your feature request related to a problem? Please describe.
With the major force field releases using NAGL charge models - AshGC now, hopefully future iterations to come - which require RDKit and incoming PDB loading infrastructure also explicitly requiring RDKit, I don't think it makes sense to continue to treat it as an optional dependency. (Historical releases are unaffected by definition.)
Describe the solution you'd like
Assume RDKit is always installed, and also make sure it's always installed
Describe alternatives you've considered
Continue to do complex operations to force RDKit removal and treat it as "optional" in most code
Additional context
RDKit and AmberTools ought to be decoupled whereas in the past they were heavily tied to each other.
Is your feature request related to a problem? Please describe.
With the major force field releases using NAGL charge models - AshGC now, hopefully future iterations to come - which require RDKit and incoming PDB loading infrastructure also explicitly requiring RDKit, I don't think it makes sense to continue to treat it as an optional dependency. (Historical releases are unaffected by definition.)
Describe the solution you'd like
Assume RDKit is always installed, and also make sure it's always installed
Describe alternatives you've considered
Continue to do complex operations to force RDKit removal and treat it as "optional" in most code
Additional context
RDKit and AmberTools ought to be decoupled whereas in the past they were heavily tied to each other.