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2.0.0-dev0

Getting started

  • Installation
  • Quick start guide
  • Frequently asked questions
  • Examples

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
  • 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
  • References
MDAnalysis User Guide
  • Docs »
  • Index

Index

A | C | D | E | R | S | X

A

  • atomName

C

  • chainID
  • charge

D

  • DUECREDIT_ENABLE

E

  • environment variable
    • DUECREDIT_ENABLE

R

  • radius
  • recordName
  • residueName
  • residueNumber

S

  • serial

X

  • X Y Z

© Copyright 2019-2020, Lily Wang, Irfan Alibay, Rocco Meli, Richard J. Gowers, and Oliver Beckstein.

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