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moldenViz

PyPI - Version PyPI - Python Version Documentation Status


Installation

pip install moldenViz

moldenViz uses tkinter for its GUI. If python3 -m tkinter fails, install the tkinter package provided by your operating system (brew install python-tk on macOS, sudo apt-get install python3-tk on Ubuntu).

Quick start

  • Launch the viewer with an example molecule:

    moldenViz -e benzene
    
  • Use the Python API for scripted workflows:

    from moldenViz import Plotter
    Plotter('my.molden')
    

Full CLI usage, configuration examples, and API walkthroughs live in the docs.

Documentation

Latest docs: https://moldenviz.readthedocs.io/en/latest/

Roadmap

Major milestones and planned features are tracked in the Roadmap. Highlights:

  • ✅ v1.1 – VTK/cube export, expanded CLI reference, richer docs.
  • ▶️ v2.0 – cartesian basis support

Contributing

Guidelines for reporting issues, running tests, and building docs are in the Contributing guide.

Project details


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