7. Core modules

The MDAnalysis.core modules contain functionality essential for MDAnalysis, such as the central data structures in MDAnalysis.core.AtomGroup or the selection definitions and parsing in MDAnalysis.core.Selection.

Contents

• 7.1. Core functions of MDAnalysis
• 7.2. Fundamental building blocks — MDAnalysis.core.AtomGroup
• 7.3. Atom selection Hierarchy — MDAnalysis.core.Selection
• 7.4. Compute observable timeseries from trajectories — MDAnalysis.core.Timeseries
• 7.5. Fast distance array computation — MDAnalysis.core.distances
• 7.6. Homogeneous Transformation Matrices and Quaternions — MDAnalysis.core.transformations
• 7.7. Fast QCP RMSD structure alignment — MDAnalysis.core.qcprot
• 7.8. Constants and unit conversion — MDAnalysis.core.units
• 7.9. Helper functions — MDAnalysis.core.util
• 7.10. Setting up logging — MDAnalysis.core.log
• 7.11. Parallel algorithms for MDAnalysis