Lars Veldscholte
Lars Veldscholte
Thanks! Sure, I'm not aware of any official demo files but I can send you some: [Archive.zip](https://github.com/BradyAJohnston/MolecularNodes/files/10490796/Archive.zip)
`data.equi` is the topology (data) file, and `dump.atom.gz` is the (gzipped) trajectory (dump) file. I did have to reverse the filename of `data.equi` to `equi.data` for MDAnalysis was able to...
That looks promising! Apart from positions, the topology file should also contain bond information. And along with the position data, every particle also has a molecule-id, atom-type, and charge. For...
Great, thanks! > You'll have to explain how to extract the molecule-id and charge from the MDAnalysis universe because in my testing I wasn't able to figure it out. I've...
> You'll have to explain how to extract the molecule-id and charge from the MDAnalysis universe because in my testing I wasn't able to figure it out. I was able...
Yes, the trajectory is in the `.lammpsdump` file. The one I sent you only contains two timesteps, but it's a trajectory nonetheless ;)
> I have just released MolecularNodes 2.3.0, which now enables the parsing of the topology and trajectory files into Blender. You will still have to delete the lines of code...
> Just that most of the nodes for displaying atoms & bonds etc assume the existence of `atomic_number`, which at least this LAMMPS data doesn't have. Ah, I see. >...
Was this ever addressed? I'm encountering this issue: if I specify a `UniqueForDateValidator` for a serializer, it breaks partial updates that don't include the fields. As an alternative solution, I...