ANIAnimator 0.0.1

ANIAnimator makes the GIF file from a given chemical ANI file

ANIAnimator

ANIAnimator makes the GIF file from a given chemical ANI file.

Installation

Use the package manager pip to install ANIAnimator.

$ pip install ANIAnimator

# to make sure you have the latest version
$ pip install -U ANIAnimator

# latest available code base
$ pip install -U git+https://github.com/eftalgezer/ANIAnimator.git

Tutorial

• ANIAnimator v0.0.1 tutorial

Usage

In code

Simple usage

ANIAnimator.animate(anifile="graphene.ANI")

Advance usage

ANIAnimator.animate(anifile="graphene.ANI", width=1920, height=1080) # defaults are 1920 × 1080, respectively

ANIAnimator.animate(anifile="graphene.ANI", loop=1) # default is 0; 0 means loop, 1 means no loop

ANIAnimator.animate(bonds_param=1.3) # default is 1.3, sets the bonds between atoms

In terminal

Simple usage

$ python -m ANIAnimator graphene.ANI

Advance usage

$ python -m ANIAnimator <ANI file> <width> <height> <loop> <bonds_param>

$ python -m ANIAnimator graphene.ANI 1920 1080 1 1.3

About bonds_param parameter

ANIAnimator uses mogli to create PNG images of the steps in ANI files. The default of mogli package is 1.0. ANIAnimator default is 1.3 since the experience shows that 1.3 is better. For details, see the README.md of mogli package.

Contributing

Pull requests are welcome. For major changes, please open an issue first to discuss what you would like to change.

Please make sure to update tests as appropriate.

Citation

If you are using ANIAnimator, please citate relevant version. You can find the relevant citation here.

@software{eftal_gezer_2022_7112025,
  author       = {Eftal Gezer},
  title        = {eftalgezer/ANIAnimator: v0.0.1},
  month        = sep,
  year         = 2022,
  publisher    = {Zenodo},
  version      = {v0.0.1},
  doi          = {10.5281/zenodo.7112025},
  url          = {https://doi.org/10.5281/zenodo.7112025}
}

License

GNU General Public License v3.0