{"id":50682849,"url":"https://github.com/mturiansky/abcv","last_synced_at":"2026-06-08T20:17:13.589Z","repository":{"id":37611280,"uuid":"208920362","full_name":"mturiansky/abcv","owner":"mturiansky","description":"A python-based crystal viewer built upon the fresnel and pymatgen 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align=\"center\"\u003e\n  \u003cimg src=\"assets/logo.png\" alt=\"ABCV\" width=330\u003e\n  \u003ch2\u003eA Better Crystal Viewer\u003c/h2\u003e\n\u003c/div\u003e\n\n`ABCV` is a python-based crystal viewer built upon the popular [pymatgen](https://github.com/materialsproject/pymatgen) and [fresnel](https://github.com/glotzerlab/fresnel) libraries.\nBy leveraging pymatgen, `ABCV` supports a range of popular input/output files associated with common quantum chemistry codes.\nFurthermore, various transformations and analysis tools are provided by pymatgen that makes preparing images with `ABCV` a snap.\n`ABCV` attempts to be fully customizable by utilizing the fresnel library, which provides a range features for creating publication-quality images.\n\n## Gallery\n\nBelow are a selection of images generated with `ABCV`.\n\n\u003cp\u003e\u003cimg src=\"assets/example0.png\" alt=\"example0\" width=250\u003e\n\u003cimg src=\"assets/example1.png\" alt=\"example1\" width=250\u003e\u003c/p\u003e\n\n## Example\n\nA simple example utilizing `ABCV` is shown below.\n```python\nfrom abcv import Viewer\nfrom pymatgen import Structure\n\n# load the logo structure with pymatgen\nstruct = Structure.from_file('test_files/POSCAR.logo')\n\n# instantiate the ABCV Viewer\nviewer = Viewer(struct)\n\n# generate scene and set background color to white (in RGBA)\nviewer.generate_scene(background_color=(1., 1., 1., 1.))\n\n# save the image\nviewer.save_image('test.png')\n```\n\n`ABCV` also comes with a command-line interface.\nThe above code is essentially equivalent to running the following.\n```shell\n$ abcv --save test.png test_files/POSCAR.logo\n```\n\n## Documentation\n\nFor now, documentation can be accessed from the docstring of each object.\nExtensive online documentation will be provided in the future.\n\n## Installation\n\nPresently, there are two methods for installing `ABCV`.\nIn the future, we plan to provide a package on conda-forge for installation.\n\n### Docker (Recommended)\n\nTo install via docker, first clone the repository.\n```shell\n$ git clone https://github.com/mturiansky/abcv \u0026\u0026 cd abcv/\n```\nNext, build the docker image.\n```shell\n$ docker build -t abcv:v0.0.1 .\n```\nYou are now ready to run the container.\n```shell\n$ docker run --rm -it abcv:v0.0.1 bash\n```\nWithin the container, one can access `ABCV` with the `$ abcv` command or as a library (`from abcv import Viewer`).\nTo use the interactive GUI, you need to run the docker container with the following command.\n```shell\n$ docker run --rm --volume=\"$HOME/.Xauthority:/home/user/.Xauthority:rw\" --env=\"DISPLAY\" --net=host -it abcv:v0.0.1 bash\n```\n\n### Pip\n\nTo install via pip, you first need to install [fresnel](https://github.com/glotzerlab/fresnel#installing-fresnel) (*tip*: you may need to manually install qhull if you don't use the conda-forge package).\nNext, you simply need to run the following command (preferably within a virtual environment).\n```shell\n$ pip install git+https://github.com/mturiansky/abcv\n```\n\n## Contributing\n\nWe would be happy to accept contributions from other developers.\nThere is still much work to do to implement various convenience features.\nAll contributed code should conform to `pep8` standards.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmturiansky%2Fabcv","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmturiansky%2Fabcv","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmturiansky%2Fabcv/lists"}