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Patinae Python Bindings

Python bindings for the Rust/WebGPU molecular visualization workspace.

Installation

pip install patinae

Background tasks

Command methods wait for accepted background work by default. Pass wait=False to receive task IDs immediately, then observe or cancel them through tasks:

from patinae import cmd, tasks

reply = cmd.fetch("1CRN", wait=False)
task_id = reply["task_ids"][0]
snapshot = tasks.get(task_id)
snapshot = tasks.wait(task_id, timeout=30)

tasks.list(**filters) lists retained tasks; tasks.cancel(task_id) requests cancellation. A wait timeout does not cancel the task.

Jupyter Widget

The package includes an anywidget-based widget for interactive visualization in notebooks. Works in JupyterLab, Jupyter Notebook, VS Code, and Google Colab.

pip install patinae[widget]
from patinae.widget import Viewer

view = Viewer()
view.show()
cmd = view.get_cmd()
cmd.fetch("1CRN")
cmd.show("cartoon")
cmd.color("green", "chain A")

Features:

  • Tracked commands — wait by default; use wait=False and view.tasks to observe or cancel background work in this viewer
  • Synchronous queries — request/response channel for commands that return data
  • Local file loading — load structures from the local filesystem into the browser viewer
  • Picking support — optional click-to-select atoms (Viewer(picking=True))
  • Configurable layout — width and height parameters with sensible defaults

License

BSD-3-Clause