qtdraw 2.1.8

3D drawing tool for molecules and crystals based on Pyvista and PySide6.

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