Oliver Beckstein

Furthermore, making it work with triclinic boxes is important. From the Wikipedia page alone it looked to me that the transformation to the circle relies on an orthorhombic coordinate system.

Perhaps the standard trick for triclinic boxes works: transform with the inverse of the box matrix to the coordinates in the triclinic basis vectors, apply the transformation to a circle,...

The question of "bug" vs "change in behavior" is important because if it's a bug then we can just fix it for 2.3.0 (or 2.2.1). If it's a change in...

The pbc keyword is deprecated and will be removed in 3.0. I think @richardjgowers is right in that we are talking about the question how compound = group should behave.

> You don't have to unwrap your system for the periodic center calculations. Yes, that's a good thing! The _meaning_ of `unwrap=True compound="group"` is, however, what you described as your...

An AUX GROMACS EDRReader is part of @BFedder 's GSOC project #3714 and we are now looking into how to get [MDAnalysis/panedr](https://github.com/MDAnalysis/panedr) into shape so that it can be used...

Do we have any inkling as to why? @edisj ?

Did we ever reproduce the failure locally? Has anyone the time to bisect h5py releases to pinpoint the ones that fail? We could exclude known bad releases for #3711 (or...

@Shankhadeep2000 welcome to MDAnalysis. This particular issue is effectively part of an ongoing Outreachy project so I don’t think we’re looking for any additional help with type hinting. But there’s...

Note that ChimeraX has an [alphafold command](https://www.cgl.ucsf.edu/chimerax/docs/user/commands/alphafold.html) that retrieves by uniprot ID or matches by sequence or structure.