4. Analysis modules

The MDAnalysis.analysis module contains code to carry out specific analysis functionality. It is based on the core functionality (i.e. trajectory I/O, selections etc). The analysis modules can be used as examples for how to use MDAnalysis but also as working code for research projects; typically all contributed code has been used by the authors in their own work.

Please see the individual module documentation for additional references and citation information.

These modules are not imported by default; in order to use them one has to import them from MDAnalysis.analysis, for instance

import MDAnalysis.analysis.align

Note

Some of the modules require additional Python packages such as scipy from the SciPy package. These package are not automatically installed (although one can add the [analysis] requirement to the pip command line to force their installation.

4.10. Legacy analysis modules

The MDAnalysis.analysis.legacy module contains code that for a range of reasons is not as well maintained and tested as the other analysis modules. Use with care.