Logo
2.1.0

Getting started

  • Installation
  • Quick start guide
  • Frequently asked questions
  • Examples
    • Quick start guide
    • Constructing, modifying, and adding to a Universe
    • Transformations
    • Other
    • Alignments and RMS fitting
    • Distances and contacts
    • Trajectory similarity
    • Structure
      • Elastic network analysis
      • Average radial distribution functions
      • Calculating the RDF atom-to-atom
      • Protein dihedral angle analysis
      • Helix analysis
    • Dimension reduction
    • Polymers and membranes
    • Volumetric analyses
  • API docs

Data structures

  • Universe
  • AtomGroup
  • Groups of atoms
  • Atom selection language
  • The topology system

Trajectories

  • Trajectories
  • Slicing trajectories
  • On-the-fly transformations
  • Units and constants

Input/output

  • Reading and writing files
  • Format overview
  • Guessing
  • Auxiliary files
  • Selection exporters
  • Format reference

Analysis

  • Analysis
  • Alignments and RMS fitting
  • Distances and contacts
  • Trajectory similarity
  • Structure
  • Volumetric analyses
  • Dimension reduction
  • Polymers and membranes
  • Hydrogen Bond Analysis
  • Writing your own trajectory analysis
  • Parallelizing analysis

Advanced

  • Standard residues in MDAnalysis selections
  • Advanced topology concepts
  • Example data

Contributing

  • Contributing to MDAnalysis
  • Contributing to the main codebase
  • Contributing to the user guide
  • Preparing a release
  • Module imports in MDAnalysis
  • Tests in MDAnalysis
  • Development docs
  • References
MDAnalysis User Guide
  • »
  • Examples »
  • Structure
  • View page source

StructureΒΆ

  • Elastic network analysis
  • Average radial distribution functions
  • Calculating the RDF atom-to-atom
  • Protein dihedral angle analysis
  • Helix analysis
Next Previous

© Copyright 2019-2022, Lily Wang, Irfan Alibay, Hugo MacDermott-Opeskin, Rocco Meli, Paul Smith, Mieczyslaw Torchala, Yuxuan Zhuang, Richard J. Gowers, and Oliver Beckstein..

Please see our Privacy Policy to learn how MDAnalysis collects data.

Other Versions