qtdraw 1.1.23

3D drawing tool for molecules and crystals based on Pyvista and Qt.

QtDraw

3D drawing tool for molecules and crystals based on PyVista and Qt. Drawings are associated with crystallographic symmetry operations provided by MultiPie.

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
• Windows

You can also visit PyPI or GitHub to download the source.

See also, Install Guide (in Japanese)

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

BibTex:

@article{PhysRevB.107.195118,
title = {Symmetry-adapted modeling for molecules and crystals},
author = {Kusunose, Hiroaki and Oiwa, Rikuto and Hayami, Satoru},
journal = {Phys. Rev. B},
volume = {107},
issue = {19},
pages = {195118},
numpages = {14},
year = {2023},
month = {May},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.107.195118},
url = {https://link.aps.org/doi/10.1103/PhysRevB.107.195118}
}

Requirements

• This library requires TeXLive environment.
• Symmetry operation supports are provided by MultiPie.

Documentation

Refer to the documentation for installation and usage. See also, Manual.