Fabian Zills
Fabian Zills
I think the flexible timesteps in general are difficult to handle. I'd suggest to do this in two steps: 1. Allow MDAnalysis to read files with `observables/particle//value`. This can be...
- [x] update species indepentley from particle count
- [x] disable modfiy/Analyse Button until results are loaded
Keep selected atom colored
Keep selected atom colored Add documentation to selected method e.g. from docstrings
Print Python Output
Drawing and uploading
- skip frames - brush, with a given density - draw into pockets (binding sites)
- [ ] select particles and move them directly - [ ] add "linkers" between
for this to work, the schema has to be updated with the default values as well. This could happen here https://github.com/zincware/ZnDraw/blob/2a248c5f4fb1d7c5ccebc5a491cd3fa0f745b411/zndraw/zndraw.py#L446-L460 and was implemented like this until it was removed...