QtDraw
3D drawing tool especially for molecules and crystals based on PyVista and PySide6. Drawings are associated with crystallographic symmetry operations provided by MultiPie.
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Authors: Hiroaki Kusunose
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Installation: QtDraw can be installed from PyPI using pip on Python >= 3.12: In order to use MathJax rendering for LaTeX, install playwright browser such as chromium.
pip install qtdraw playwright install chromium # on Linux, also run `playwright install-deps chromium`.
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Shell commands:
qtdraw [filename]: Open a QtDraw file (.qtdw, which may be omitted) or a material file (.cif,.vesta,.xsf).conv_qtdraw3 ver1_file[.qtdw]: Convert a version-1.qtdwfile to version 3, written asver1_file_v3.qtdwnext to it.
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Requirements:
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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 107, 195118 (2023).
DOI: https://doi.org/10.1103/PhysRevB.107.195118 -
License: QtDraw is distributed under the Mozilla Public License version 2.0 (MPL v2). Versions up to 3.2.0 were distributed under the MIT License. The bundled MathJax keeps its own license (Apache License 2.0).
2 maintainers
Metadata
2 maintainers
Release files for qtdraw 3.3.0
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| qtdraw-3.3.0.tar.gz | 1.2 MB | With provenance | Details for qtdraw-3.3.0.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| qtdraw-3.3.0-py3-none-any.whl | Python 3 | none | any | Details for qtdraw-3.3.0-py3-none-any.whl |
Total release size: 2.3 MB
Release files / qtdraw-3.3.0.tar.gz
| Download URL | qtdraw-3.3.0.tar.gz |
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| Size | 1.2 MB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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| Download URL | qtdraw-3.3.0-py3-none-any.whl |
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| Size | 1.1 MB |
| Tags | Python 3 |
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SHA-256 checksum How to use checksums |
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