Michael Milton

Very helpful answer as usual @jturner314, thank you. I just have to wonder, is having end users like me manually implement `Debug` on our structs easier, or would it be...

> The Float trait is still has some requirement, I think this is not easy to solve, such as the Num trait. Ah yes you're right, implementing `Float` requires implementing...

Looks like that won't be a problem if we don't bother with actually implementing `Float`.

> These methods are not efficient, because they create new arrays - allocation and copying - for all operations. But they are convenient, and a lot of times the user...

Is this to do with loading the elements into CPU registers or something? Because otherwise I can't see why processing the whole array in one pass and then again in...

Okay I'll move the discussion of this lazy eval into a new issue for now so we can get this PR merged.

Interestingly it seems that the PDB reader has the same issue. If you have multiple different chains in the same file, openbabel will still only output one molecule.

> Because the data set seems to be the result of a simulation, do you have the option for an output in a different file format? Given the chemistry (size...

Okay well it's good that JMOL can do this, but since it can, I was hoping OpenBabel could do the same. I'm trying to do this using pure python, without...

Thanks, I'll give that a try!