cosmol-viewer 0.2.0.dev1__cp310-abi3-macosx_11_0_arm64.whl
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Metadata-Version: 2.4
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Name: cosmol-viewer
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Version: 0.2.0.dev1
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Summary: Molecular visualization tools
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Author-email: 95028 <wjt@cosmol.org>
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Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM
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Project-URL: Repository, https://github.com/COSMol-repl/COSMol-viewer
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# COSMol-viewer
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A high-performance molecular viewer for Python and Rust, powered by a unified Rust core.
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It supports both in-notebook visualization and native desktop rendering, with smooth playback for scientific animations.
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<div align="center">
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<a href="https://crates.io/crates/cosmol_viewer">
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<img src="https://img.shields.io/crates/v/cosmol_viewer.svg" alt="crates.io Latest Release" />
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</a>
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<a href="https://pypi.org/project/cosmol_viewer/">
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<img src="https://img.shields.io/pypi/v/cosmol_viewer.svg" alt="PyPi Latest Release" />
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</a>
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<a href="https://cosmol-repl.github.io/COSMol-viewer">
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<img src="https://img.shields.io/badge/docs-latest-blue.svg" alt="Documentation Status" />
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</a>
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</div>
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COSMol-viewer is a compact, cross-platform renderer for molecular and geometric scenes.
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Unlike purely notebook-bound solutions such as py3Dmol, COSMol-viewer runs everywhere:
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- Native desktop window (Python or Rust) via `egui`
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- Jupyter / IPython notebook via WASM backend
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- Rust applications
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All implementations share the same Rust rendering engine, ensuring consistent performance and visual output.
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---
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## Quick concepts
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- **Scene**: container for shapes (molecules, proteins, spheres, etc.).
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- **Viewer.render(scene, ...)**: create a static viewer bound to a canvas (native or notebook). Good for static visualization.
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- **viewer.update(scene)**: push incremental changes after `Viewer.render()` (real-time / streaming use-cases).
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- **Viewer.play(frames, interval, loops, width, height, smooth)**: *recommended* for precomputed animations and demonstrations. The viewer takes care of playback timing and looping.
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**Why prefer `play` for demos?**
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- Single call API (hand off responsibility to the viewer).
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- Built-in timing & loop control.
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- Optional `smooth` interpolation between frames for visually pleasing playback even when input frame rate is low.
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**Why keep `update`?**
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- `update` is ideal for real-time simulations, MD runs, or streaming data where frames are not precomputed. It provides strict fidelity (no interpolation) and minimal latency.
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---
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# Usage
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## python
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See examples in [Google Colab](https://colab.research.google.com/drive/1Sw72QWjQh_sbbY43jGyBOfF1AQCycmIx?usp=sharing).
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Install with `pip install cosmol-viewer`
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### 1. Static molecular rendering
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```python
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from cosmol_viewer import Scene, Viewer, parse_sdf, Molecules
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mol_data = parse_sdf(open("molecule.sdf", "r", encoding="utf-8").read())
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mol = Molecules(mol_data).centered()
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scene = Scene()
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scene.add_shape(mol, "mol")
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viewer = Viewer.render(scene, width=600, height=400)
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print("Press Any Key to exit...", end='', flush=True)
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_ = input() # Keep the viewer open until you decide to close
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```
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### 2. Animation playback with `Viewer.play`
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```python
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from cosmol_viewer import Scene, Viewer, parse_sdf, Molecules
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frames = []
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for i in range(1, 10):
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with open(f"frames/frame_{i}.sdf", "r") as f:
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sdf = f.read()
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mol = Molecules(parse_sdf(sdf)).centered()
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scene = Scene()
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scene.add_shape(mol, "mol")
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frames.append(scene)
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Viewer.play(frames, interval=0.033, loops=-1, width=800, height=500, smooth=True) # loops=-1 for infinite repeat
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```
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more examples can be found in the [examples](https://github.com/COSMol-repl/COSMol-viewer/tree/main/cosmol_viewer/examples) folder:
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```bash
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cd cosmol_viewer
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python .\examples\render_protein.py
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```
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# Documentation
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Please check out our documentation at [here](https://cosmol-repl.github.io/COSMol-viewer/).
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---
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# Contact
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For any questions, issues, or suggestions, please contact [wjt@cosmol.org](mailto:wjt@cosmol.org) or open an issue in the repository. We will review and address them as promptly as possible.
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@@ -0,0 +1,5 @@
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cosmol_viewer/__init__.py,sha256=K33zoYpHqUVvpFdMVxmCtw4uKj9ZXrGuQD4D4DuUmjk,135
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cosmol_viewer/cosmol_viewer.abi3.so,sha256=yu9NWWRHeH8dyxmocN0mbW8PBywHH4XW4QXw56fR7mM,9481616
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cosmol_viewer-0.2.0.dev1.dist-info/METADATA,sha256=XUGXAl1DXMWsALJHkoQmlTlkqtK8VXrC9xzChXRR518,3989
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cosmol_viewer-0.2.0.dev1.dist-info/WHEEL,sha256=vZ12AMAE5CVtd8oYbYGrz3omfHuIZCNO_3P50V00s00,104
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cosmol_viewer-0.2.0.dev1.dist-info/RECORD,,
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