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