Gerardo Tauriello

@martin-steinegger if I may add, I think it would be good to have ipTM in the scores json. Especially if the ranking is done with the multimer-ranking. Otherwise, you end...

I assume you mean the PAE matrix (instead of "ptm matrix")? To the best of my knowledge, PAE, pTM and ipTM are all derived from the same model output (which...

@arose Thanks for looking into this. And sorry for the delayed answer. I was travelling last week and could only look at it now. I cannot fully judge if the...

Given that the group data in MMTF only lists the observed atoms, I would say that an unobserved residue could be represented with a group which has 0-length arrays `formalChargeList`,...

@vitlav Could you elaborate on what tests exactly fail in mmtf-cpp v1.0.0 against 1.0 specs? I mean mmtf-cpp includes a checkout of mmtf as a submodule and is continuously tested...

Following up on my own comment, I just tried to run the mmtf-cpp tests against the "v1.0" checkout of this mmtf repository. In mmtf-cpp, we include a specific checkout of...

@vitlav I see. The installation of mmtf-cpp does not depend on this repository (matter of fact installing mmtf-cpp boils down to copying a couple of header-files), so you don't actually...

One idea there: for decoders it should be fairly simple to accept `Array` and `Binary` types interchangeably (at least rcsb/mmtf-cpp doesn't have a problem with it and I consider C++...

Yes the link with the description works well. Thank you for adding it. Just one pedantic comment: could you use "SWISS-MODEL" instead of "Swiss Model"? Also please let us know...

Rendering the plot would already be very helpful (and I think that I have seen some mol* fork which does it but I don't recall where). It would be even...