Pol Febrer Calabozo

Thanks @tfrederiksen! I totally should use `geom.optimize_nsc()`, I didn't know it existed :) > @pfebrer , since one is typically concerned with periodic structures, wouldn't it be simpler to create...

> It would be cool if one could do also heterostructures in the zigzag direction! Yes it would :sweat_smile:. Depending on when @zerothi is thinking on dropping the release I...

Indeed, this is something that can be done afterwards. But what I mean is that each particular section can start "open" or "closed". In our example, the first 7 atom...

See this ribbon, for example: ```python graphene_heteroribbon([7,10,9,8], [1j,2j,2,1], [0,0,1,0]).plot(axes="xy",nsc=[2,1,1]) ``` 

I mean that you can not just build this ribbon with the "closed" configuration and then convert it. Ok, certainly you could build it starting with the 9 atom section...

Here both 7 and 9 start in the open configuration: ```python graphene_heteroribbon([7,10,9,8], [1j,2j,1,2], [0,0,0,1]).plot(axes="xy",nsc=[2,1,1]) ```  I don't know, to me it seems easier to specify how...

Yes, but the point is that you had to find in your ribbon where can you start to build it and then understand how much you need to shift. Anyway,...

> The pdb specification is huge. Yes, I thought so too hahah. This brings me to the next point. Since you already implemented `fromASE` and `toASE` methods in `Geometry`, do...

> do you think it would make sense to try to fallback to reading with ASE in case the parser is not implemented? For example, having an `UnknownSile` class to...

Seems good to me! As long as you can still call the default with: ``` PeriodicTable.radius() ``` The only problem that I see is that maybe the documentation becomes more...