Brady Johnston
Brady Johnston
I can second the want for this. Lots of people store frame-specific data in the `b_factor` column for visualisation purposes, and it would be really useful to have easy access...
@IAlibay Thanks but the use case I have I use MDAnalysis under the hood so there is no user interfacing with it. The data goes straight from topology / trajectory...
For my use case at least, the accessing via: ```python for ts in univ.traj: ts.data['tempfactors'] ``` With the same setup as the occupancies would work totally fine. I don't need...
I would certainly be very appreciative of any direction you wish to take, both in short-term solutions and longer-term design plans.
Thanks for the feedback, that would be amazing if possible! Appreciate it and looking forward to the release.
Thanks @padix-key for doing all this work! I've been watching the re-write of the CIF / BCIF and I'm liking the interface. Do you have a plan to make a...
AlphaFoldDB officially released docs and better support for their API a few days ago. I was going to have a go at it, but I don't really know my way...
Thanks for the feedback @jojoelfe, I'd be interested to see how you are currently implementing it. I think I agree that an individual class for each camera if a user...
This of course then requires the _most important step_, which is coming up with a good package name. Other projects which do a similar thing are [`EasyBPY`](https://github.com/curtisjamesholt/EasyBPY).
The 'first part' of this implementation I've done in #402. All importing is now done via classes internally. The 3 main metaclasses are `Molecule`, `Density` and `Ensemble`. Trajectories imported via...