Summary
Beyond what we can currently store in the Structure manifest section (apart from the general metadata field), it would be good to have some method for storing a path to a per-residue pLDDT file (for AF2 structures).
I am trying to decide if it would be worth creating a dedicated manifest field for this or just grouping it within the general metadata dict.
Also want to store some other random things ex. closest_pdb, identity_to_closest_pdb, etc. but these can just fit into general metadata probably?
Motivation
Some of these explicit fields are going to be present in all of the PG2 data, so it would be good to have dedicated manifest fields over grouping in metadata?
Proposed solution
Add manifest field or just throw everything in metadata dict.
Summary
Beyond what we can currently store in the Structure manifest section (apart from the general metadata field), it would be good to have some method for storing a path to a per-residue pLDDT file (for AF2 structures).
I am trying to decide if it would be worth creating a dedicated manifest field for this or just grouping it within the general metadata dict.
Also want to store some other random things ex. closest_pdb, identity_to_closest_pdb, etc. but these can just fit into general metadata probably?
Motivation
Some of these explicit fields are going to be present in all of the PG2 data, so it would be good to have dedicated manifest fields over grouping in metadata?
Proposed solution
Add manifest field or just throw everything in metadata dict.