Explanation

Use Explanation when you need the reasoning behind PolyzyMD: design choices, analysis assumptions, statistical interpretation, and plugin-specific caveats. If you want commands for a task, start with How-To Guides. If you need to look up options, file layouts, or schemas, use Reference.

Tip

New to the analysis plugin system? Start with Analysis System Concepts, then read the statistical and reference-selection pages listed in the contributor pathway below.

New contributor path

Read the concepts, statistics, convergence, and reference-selection pages that shape analysis-plugin design.

Analysis System Concepts
Statistical interpretation

Understand replication, uncertainty, multiple comparisons, and convergence before comparing simulation conditions.

Statistics Best Practices for MD Analysis
RMSF interpretation

Learn why RMSF depends on alignment, residue mapping, replicate treatment, and the selected structural reference.

RMSF Analysis: Statistical Best Practices
Architecture and conventions

See the design rationale and implementation constraints that keep PolyzyMD analyses consistent. Chain conventions are covered in the residue-assignment page.

Architecture

New contributor pathway

If you are adding or reviewing an analysis plugin, read these pages first:

  1. Analysis System Concepts for the analysis lifecycle and plugin boundaries.

  2. Statistics Best Practices for MD Analysis for replicate-level interpretation and statistical expectations.

  3. Establishing Convergence in MD Simulations for deciding whether trajectory summaries are interpretable.

  4. How RMSF reference selection changes interpretation for how structural references affect RMSF and related fluctuation metrics.

Concepts and Design

Interpretation and Best Practices

Start with the cross-cutting interpretation pages, then use the plugin-specific pages for caveats tied to particular metrics.

Foundations

Metric and plugin caveats