You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Based on comment from @padix-key on #487 I opened this issue. The problem is that currently it is not possible to manage a collection of models with different annotations on a per model basis via AtomArrayStacks. Features like occupancy or b_factors and even charges could however vary for different models of even the same molecule.
This is a conceptual problem with the current layout of AtomArrayStack. @padix-key correct me if any of this is wrong please.
The text was updated successfully, but these errors were encountered:
Yes, this is correct, currently the only annotation, that may differ between models is coord. Probably the most work needs to go into refactoring the file interfaces, the necessary changes to _AtomArrayBase should be quite small.
Based on comment from @padix-key on #487 I opened this issue. The problem is that currently it is not possible to manage a collection of models with different annotations on a per model basis via AtomArrayStacks. Features like occupancy or b_factors and even charges could however vary for different models of even the same molecule.
This is a conceptual problem with the current layout of AtomArrayStack.
@padix-key correct me if any of this is wrong please.
The text was updated successfully, but these errors were encountered: