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Project description
moldenViz
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.
Release history Release notifications | RSS feed
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