QtDraw

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:

  • This library requires TeXLive environment.

  • Symmetry operation supports are provided by MultiPie.

• See also:

  • Manual.

  • MultiPie tutorial (in Japanese)

  • QtDraw tutorial (in Japanese)

  • Source : PyPI or GitHub