# [QtDraw](https://cmt-mu.github.io/QtDraw/)
3D drawing tool for molecules and crystals based on [PyVista](https://docs.pyvista.org/) and [Qt](https://www.riverbankcomputing.com/static/Docs/PyQt5/#).
Drawings are associated with crystallographic symmetry operations provided by [MultiPie](https://github.com/CMT-MU/MultiPie).
- **Authors**: Hiroaki Kusunose
- **Citing QtDraw and MultiPie**: If you are using QtDraw and/or MultiPie in your scientific research, please help our scientific visibility by citing our work:
> Hiroaki Kusunose, Rikuto Oiwa, and Satoru Hayami, Symmetry-adapted modeling for molecules and crystals, Phys. Rev. B <b>107</b>, 195118 (2023).<br>
> DOI: [https://doi.org/10.1103/PhysRevB.107.195118](https://doi.org/10.1103/PhysRevB.107.195118)
- **Installation**: QtDraw can be installed from PyPI using pip on Python >= 3.9:
```
pip install qtdraw
```
- It is useful to associate with the following application with `.qtdw` and `.cif` extension.
- [Mac](https://github.com/CMT-MU/QtDraw/tree/main/others/QtDraw_MacApp.zip)
- [Windows](https://github.com/CMT-MU/QtDraw/tree/main/others/QtDraw_WinApp.zip)
- You can also visit [PyPI](https://pypi.org/project/qtdraw/) or [GitHub](https://github.com/CMT-MU/QtDraw) to download the source.
- See also, [Install Guide (in Japanese)](./src/install_guide.pdf)
- Shell command `qtdraw [filename]` is available.
- **Requirements**:
- This library requires [TeXLive](https://www.tug.org/texlive/) environment.
- Symmetry operation supports are provided by [MultiPie](https://github.com/CMT-MU/MultiPie).
- **See also**:
- [Manual (QtDraw and MultiPie)](https://github.com/CMT-MU/QtDraw/blob/main/docs/src/manual.pdf).
- [MultiPie tutorial (in Japanese)](https://cmt-mu.github.io/MultiPieTutorial/)
- [QtDraw tutorial (in Japanese)](https://cmt-mu.github.io/QtDrawTutorial/)
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