qtdraw 1.1.31

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.

• 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
  

  • 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)
  • Shell command qtdraw [filename] is available.

• Requirements:

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

• See also:

  • Manual (QtDraw and MultiPie).
  • MultiPie tutorial (in Japanese)
  • QtDraw tutorial (in Japanese)