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@github-actions github-actions released this 13 Apr 12:01
v0.3.1
7ebbf80

PyMOL-RS v0.3.1

A customization and Windows release — startup scripts, Python keybindings, and plugin auto-loading give users control over their environment, while Windows-specific fixes bring the platform to full parity.

Highlights

Startup Script (pymolrc)

PyMOL-RS now executes ~/.pymol-rs/pymolrc as PML on launch. The script runs after GPU initialization and plugin loading but before any CLI-specified files, so user defaults (colors, settings, representations) apply to all subsequently loaded structures — matching PyMOL's pymolrc behavior.

Python Keybindings

Plugins can now register keyboard shortcuts from Python via cmd.set_key() and cmd.unset_key(). Hotkey strings (e.g. "ctrl+s", "F5") are parsed on the GUI side into proper winit key codes. Cmd is mapped to Ctrl on macOS for cross-platform consistency. Python callbacks execute on the worker thread when the key is pressed.

Plugin Auto-Loading

Each plugin directory is scanned for a python/ subdirectory at startup. All .py files found there are automatically executed after backend installation, in alphabetical order for deterministic behavior. This enables plugins to ship Python extensions that self-install without user intervention.

New Features

  • Configurable paths — Config directory, plugin directory, and pymolrc path are now overridable via environment variables (PYMOL_RS_CONFIG_DIR, PYMOL_RS_PLUGIN_DIR, PYMOL_RS_PYMOLRC). Defaults remain ~/.pymol-rs, ~/.pymol-rs/plugins, and ~/.pymol-rs/pymolrc
  • DSSP benchmark — Criterion benchmark for the Kabsch & Sander DSSP implementation alongside the existing PyMolDss benchmark for direct performance comparison

Bug Fixes

  • Windows menu bar — The native menu bar (muda) was only initialized for macOS (init_for_nsapp) but never attached to the window on Windows, resulting in no menu bar. Now calls init_for_hwnd on the winit window handle
  • Windows path backslashes — Backslashes in file paths from Windows file dialogs and pymolrc loading are now normalized to forward slashes before reaching the command parser, fixing "Unknown file format" errors (fixes #3)

Under the Hood

  • Centralized paths — Hardcoded ~/.pymol-rs paths in pymol-gui replaced with pymol_settings::paths module, making all path logic testable and overridable from a single location
  • dirs promoted — dirs crate moved to a workspace dependency

Full Changelog: v0.3.0...v0.3.1

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