From 9b2160bbf05feb04d29ef4915c76f16a40413af1 Mon Sep 17 00:00:00 2001 From: Shlesha Ghanekar Date: Sat, 31 Jan 2026 11:42:54 +0530 Subject: [PATCH] Docs: add minimal Python example to getting started Added a minimal Python example demonstrating a basic MDAnalysis workflow. --- pages/getting_started.md | 14 ++++++++++++++ 1 file changed, 14 insertions(+) diff --git a/pages/getting_started.md b/pages/getting_started.md index 20f3926e..9fc44aea 100644 --- a/pages/getting_started.md +++ b/pages/getting_started.md @@ -50,4 +50,18 @@ MDAnalysis]({{ site.baseurl }}/pages/learning_MDAnalysis) to explore tutorials and documentation. If you have questions, visit our [Community]({{ site.baseurl }}/pages/community) page to learn about available discussion channels. Happy coding! +## Minimal Python example +Below is a minimal example demonstrating a basic MDAnalysis workflow. + +```python +import MDAnalysis as mda + +# Load a topology and trajectory +u = mda.Universe("topology.pdb", "trajectory.xtc") + +# Select protein atoms +protein = u.select_atoms("protein") + +print(f"Number of atoms: {protein.n_atoms}") +print(protein.positions[:5])