TODOs

[PythonFZ]

• [ ] step size
• [ ] enter value instead of slider (optional)
• [ ] support pydantic without default values
• [ ] schema support lists
• [x] center the atoms
• [x] test yield
• [x] move will create a new bug
• [ ] define shortcuts for functions
• [ ] analyse, option to skip atoms without calculators
• [x] allow xyz download
• [ ] add console message if the neighbourlist finished and data is sent to threejs
• [x] Improve drawing: equation of the line / import via python + allow planes or other shapes (maybe https://threejs.org/docs/#examples/en/geometries/ConvexGeometry)

[PythonFZ]

• [x] update species indepentley from particle count

[PythonFZ]

• [x] disable modfiy/Analyse Button until results are loaded

[PythonFZ]

Keep selected atom colored

[PythonFZ]

Keep selected atom colored Add documentation to selected method e.g. from docstrings

[PythonFZ]

Print Python Output

[PythonFZ]

Drawing and uploading

[PythonFZ]

• skip frames
• brush, with a given density
• draw into pockets (binding sites)

[PythonFZ]

• [ ] select particles and move them directly
• [ ] add "linkers" between