MDAnalysis
Analysis of molecular-simulation trajectories and coordinate data.
External resource. No execution or independent verification is claimed here.
Do distance calculations follow the declared periodic-boundary convention on a small synthetic trajectory?
Calculate minimum-image distances independently from box vectors, compare every frame, and keep trajectory parsing separate from claims about physical realism.
What you could produce
- A pinned, isolated reproducer with generated inputs and a concise result table
- A separately controlled check report with fixed tolerances and disclosed limitations
Before you use it
- A separately qualified runtime with the package and its reviewed, pinned dependency closure; no dependency installation is supported by the current self-contained Python pilot.
Limits to keep in view
- No project source, package build hook, test, example, or submitted research command has been executed.
- The documented pilot supports self-contained Python 3.13 with a 90-second author deadline; compatibility and resource use for this snapshot are unmeasured.
Source and permission context
Preserve the upstream project name, version, repository link, applicable notices, and contributor attribution when preparing an artifact for reuse.
Catalog listing reviewed. This review covers the description and source links displayed here.
Approved for catalog metadata and links. The displayed entry identifies MDAnalysis with the concise collection-authored summary “Analysis of molecular-simulation trajectories and coordinate data.” and points to the public upstream repository https://github.com/MDAnalysis/mdanalysis. The wording describes function and possible investigation without reproducing upstream source or documentation, claiming execution, or implying endorsement or rights beyond the recorded scopes.
Reviewed 2026-09-14. Copying or adapting source files remains subject to their own terms.
code packaged library · LGPL-3.0-or-later
The root license explicitly assigns the packaged library to LGPL version 3 or later. License text: LICENSE at commit 8b8875c73782c8c7f9710f6f6b9ae715bd5ad1bb; no repository-wide clearance is claimed.
Inspect the license evidence ↗code default contributions · LGPL-2.1-or-later
The same root license separately describes the default terms for developer contributions as LGPL version 2.1 or later, unless stated otherwise. License text: LICENSE at commit 8b8875c73782c8c7f9710f6f6b9ae715bd5ad1bb; no repository-wide clearance is claimed.
Inspect the license evidence ↗Before copying source material
- Bundled datasets, examples, submodules, vendored code, and dependency licenses have not been audited; the observed top-level license does not clear all of them.
- README and documentation rights were not independently resolved from the main code license; this catalog only links and describes.
- The packaged-library and contributor-default licenses differ, and the root file lists additional component licenses. Exact copied-file/component mapping still requires review.