p-j-smith / mda-tui

A textual user interface (TUI) for MDAnalysis

MDAnalysis TUI

A textual user interface (TUI) for MDAnalysis trajectory transformations

mda-tui.mp4

Latest release
Status
Community

Warning

MDanalysis TUI is alpha software and may change without warning.

Installation

When installing MDAnalysis TUI, we highly recommend using virtual environments. If possible, we strongly recommend that you use Mambaforge as your package manager.

First ensure that you have mamba installed.

Create a virtual environment and activate it:

mamba create --name mda-tui -c conda-forge python=3.10 pip
mamba activate mda-tui

Then install MDAnalysis TUI:

python -m pip install mda-tui

And when you are finished, you can exit the virtual environment with:

mamba deactivate

To use conda instead, replace all mamba commands with conda.

Installation from source

To build MDAnalysis TUI from source, follow the above steps for creating a virtual environment, clone this repository:

git clone https://github.com/p-j-smith/mda-tui.git

Then inside your virtual environment type:

python -m pip install .

If you want to create a development environment, you can install MDAnalysis TUI in editible mode along with the dependencies required for running tests and and building docs with the following command:

python -m pip install -e ".[dev]"

Code of conduct

MDAnalysis TUI is bound by a Code of Conduct.

Copyright

The MDAnalysis TUI source code is hosted at https://github.com/p-j-smith/mda-tui and is available under the GNU General Public License, version 2 (see the file LICENSE).

Copyright (c) 2023, Paul Smith

Acknowledgements

Project based on the MDAnalysis Cookiecutter version 0.1. Please cite MDAnalysis when using MDAnalysis TUI in published work.