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Patinae is a molecular visualization toolkit with documented desktop, Python/Jupyter, and browser interfaces. It is designed for viewing and analyzing molecular structures, scripting workflows, creating publication images, and embedding a viewer in other applications. The project describes its renderer as GPU-first, but its capability and performance statements are project documentation—not independent benchmark results.

What is Patinae?

Patinae is a programmable molecular viewer and toolkit for working with structural biology and related molecular data. Its documented uses include interactive research, structural analysis, scripting, notebooks, publication images, and embedding a viewer in another application. The project’s own positioning is “A fast, programmable molecular viewer for research, scripting, and the web.” That is the project’s description, not an independently measured performance claim. Patinae’s official repository describes the toolkit and its documented workflows.

Patinae presents itself as more than a single desktop program: the repository describes a native application, a Python package with a Jupyter widget, and a web viewer. It also documents reusable Rust crates and native plugins for extending the software.

Is Patinae PyMOL?

No. Patinae says it was called PyMOL-RS through version 0.3.x, but the current project is independent, is not official PyMOL software, and does not wrap PyMOL source. It documents familiar commands and session workflows where useful, but that does not make it PyMOL or establish complete compatibility.

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The repository says Patinae supports PRS v4 .prs sessions, can import legacy .pse sessions, and supports older PRS raw, v2, and v3 sessions. It also lists a prs-upgrade utility for named older project versions. Session migration can depend on the file and software version, so consult the current repository documentation before relying on a version-specific conversion workflow.

How do I install Patinae?

The best installation route depends on whether you need the desktop viewer, a Python/Jupyter workflow, or a browser-based viewer. The project points users to pre-built releases and documents a Python package install.

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Use the native desktop application

Download a pre-built binary from the project’s releases page in its official repository. For a command-line example, the README shows opening a PDB file with patinae structure.pdb. Exact binary availability and instructions can change, so follow the release notes for the version and operating system you use.

Install the Python package

The documented package installation command is:

pip install patinae

The repository also includes Python examples that use cmd for commands and a Viewer widget for Jupyter. Check the package documentation for the current import pattern and widget setup appropriate to your environment.

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Build from source

The repository’s source-build guidance lists Rust for the core and desktop application, uv for Python package builds, and Node.js for web viewer and notebook widget assets. Building is the option for developers who need to work from source or on the project’s components; it is not necessary merely to try a published binary or Python package.

Does Patinae work in Jupyter?

Yes. The project documents a Python package and a Jupyter widget, allowing molecular viewing within a notebook workflow. Its examples use a Viewer widget alongside commands through cmd. This supports notebook-based interaction, but the exact setup and behavior may vary with package and notebook versions; use the current repository examples when configuring an environment.

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What molecular file formats does Patinae support?

The README lists support for the formats below, including compressed inputs. These are the project’s stated capabilities; the list is not an independent compatibility test, and it does not guarantee that every file variant or feature in a format will work identically.

Data type Formats listed by the project
Atomic and molecular structures PDB, mmCIF, BinaryCIF, MOL2, SDF/MOL, XYZ, and GRO
Electron-density and related maps CCP4/MRC
Molecular trajectories XTC and TRR
Compressed inputs gzip-compressed inputs
Independent reader supportYour contribution helps us test, update, and keep practical guides available for everyone.Support on Ko-Fi

What can you display and analyze with Patinae?

Patinae documents both molecular display options and structural-analysis operations. Which capabilities matter most depends on whether you are inspecting a single structure, comparing structures, examining map data, or automating repeated work.

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Representations and selections

Documented representations include spheres, sticks, lines, cartoon, ribbon, surfaces, mesh, dots, labels, and density maps. Selection expressions can target features such as chains, atom names, polymers, solvent, or atoms near a specified region. Together, representations and selections provide ways to isolate and inspect parts of a molecular scene.

Structural analysis and maps

The README lists Kabsch superposition and CE structural alignment, collections of distance, angle, and dihedral measurements, crystallographic symmetry expansion, and geometry-based secondary-structure assignment. For map work, it documents electron-density map loading and contouring. These descriptions establish the operations the project documents, not their accuracy or performance on a particular dataset.

Which Patinae interface should you choose?

  • Desktop: Choose the native application for interactive structure viewing and analysis without building a notebook or embedding a web component.
  • Python and Jupyter: Choose the package and widget when viewing should sit alongside notebook code or scripted analysis.
  • Browser and embedding: Choose the web viewer when the viewer needs to run in a browser or be incorporated into a web experience. The project describes this viewer as based on WebAssembly and WebGPU.
  • Development and extension: Explore the Rust plugins and reusable crates if you need to extend the toolkit or build on its components.

What should you check before adopting Patinae?

The project describes Patinae as GPU-first and provides renderer memory profiles named performance, balanced, lite, and manual:<MiB>. It says the profile is selected when the renderer is created; changing it requires recreating the renderer, usually by restarting the application or viewer. These profile names and configuration notes do not specify a particular GPU requirement or a measured memory footprint.

Before making Patinae part of a research or publishing workflow, check the details that affect your own files and environment:

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  • Whether your specific structures, maps, or trajectories load as expected.
  • Whether the documented representations, selections, and analyses cover your workflow.
  • Whether you need to import or export particular session files, especially when migrating older sessions.
  • Whether your users need desktop, notebook, or browser access.
  • Whether the project’s current platform and renderer instructions fit your systems.

The repository names the BSD 3-Clause license. Review the license and current project terms for your intended use. The repository is the primary source for Patinae’s stated features, installation directions, and license; it is not an independent review or benchmark.

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