Autodesk / Autodesk/notebook-molecular-visualization

How to plot xyz trajectory files obtained by running geometry optimization through xtb

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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

Open the contributing 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

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