3D drawing tool for molecules and crystals based on PyVista and PySide6. Drawings are associated with crystallographic symmetry operations provided by 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 107, 195118 (2023).
DOI: 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:
See also:
FAQs
3D drawing tool for molecules and crystals based on Pyvista and PySide6.
We found that qtdraw demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 2 open source maintainers collaborating on the project.
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