| Name | qtdraw JSON |
| Version |
2.2.4
JSON |
| download |
| home_page | None |
| Summary | 3D drawing tool for molecules and crystals based on Pyvista and PySide6. |
| upload_time | 2024-12-15 21:52:45 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.9 |
| license | MIT |
| keywords |
pyvista
pyside6
multipie
|
| VCS |
 |
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
# [QtDraw](https://cmt-mu.github.io/QtDraw/)
3D drawing tool for molecules and crystals based on [PyVista](https://docs.pyvista.org/) and [PySide6](https://doc.qt.io/qtforpython-6/index.html).
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
```
- **Shell commands**:
- `qtdraw [filename]` : Open QtDraw file.
- `conv_qtdraw2 [ver1_file.qtdw]` : Convert Version 1 `.qtdw` file into this version (Version 2).
- **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](https://cmt-mu.github.io/QtDraw/src/overview.html).
- [MultiPie tutorial (in Japanese)](https://cmt-mu.github.io/MultiPieTutorial/)
- [QtDraw tutorial (in Japanese)](https://cmt-mu.github.io/QtDrawTutorial/)
- Source : [PyPI](https://pypi.org/project/qtdraw/) or [GitHub](https://github.com/CMT-MU/QtDraw)
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