Install

Oliver Beckstein edited this page May 18, 2017 · 10 revisions

MDAnalysis is supported on

  • Linux
  • Mac OS X

and the instructions below are for supported operating systems.

However, some users also had success with installing on Windows. This is not currently officially supported but hints on how to make it work are listed under MDAnalysis on Windows.

Installing MDAnalysis

To install the latest stable release, use pip:

pip install MDAnalysis

To run the test cases and examples, also install the unit tests (about 40 MiB in size):

pip install MDAnalysisTests

If you have questions with the installation, please ask on the mdnalysis-discussion mailing list.

Other ways to install

Developers

Read the Guide for Developers, which includes special installation instructions.

There also special instructions for installing the development branch, i.e., the develop branch where new features and bug fixes appear before they are officially released.

Project Information

About
GNU GPL v2 code license
Labels: python, molecular dynamics, analysis, DCD, CHARMM, LAMMPS, NAMD, Gromacs, computer simulation, atoms, coordinates, trajectory, XTC, Library, object-oriented
Core Developers

Essentials

Applications
Downloads
Install
Release Notes
Guide for Developers
Google Summer of Code

Code of Conduct

Links

@mdanalysis on Twitter
Documentation
Tutorials
Downloads (PyPi)
Mailing Lists:
User discussion group
Developer mailing list

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