Fabian Zills

Results 90 comments of Fabian Zills
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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...