Autodesk / Autodesk/notebook-molecular-visualization
How to plot xyz trajectory files obtained by running geometry optimization through xtb
Open
- Dominant language
- Python
- Stars
- 88
- Forks
- 21
- PR merge metrics
- No merged PRs in 30d
Description
The title says it all, I am trying to display in my Jupyter notebook the trajectory obtained from the xtb log file but I cannot find any documentation regarding it, can somebody point me to the right direction?
Contributor guide
Research direction
The issue names no file, test, or entry point. First identify how this repository handles molecular trajectories in Jupyter notebooks and whether xTB log or XYZ files are supported; done would be a documented, reproducible path for displaying the resulting trajectory.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- jupyter, jupyter-notebook, python
- Domain
- data-visualization, documentation
- Issue type
- Documentation
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 20/100