{"id":42475919,"url":"https://github.com/zmactep/pymol-rs","last_synced_at":"2026-02-18T17:01:16.372Z","repository":{"id":334718873,"uuid":"1142469800","full_name":"zmactep/pymol-rs","owner":"zmactep","description":"A Rust reimplementation of PyMOL molecular visualization","archived":false,"fork":false,"pushed_at":"2026-02-11T20:11:47.000Z","size":4353,"stargazers_count":7,"open_issues_count":0,"forks_count":0,"subscribers_count":0,"default_branch":"main","last_synced_at":"2026-02-12T00:53:46.059Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Rust","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-3-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/zmactep.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2026-01-26T13:05:18.000Z","updated_at":"2026-02-11T20:04:30.000Z","dependencies_parsed_at":"2026-02-01T14:00:43.207Z","dependency_job_id":"d2ae8831-5c51-45d8-9b84-7b6e46625242","html_url":"https://github.com/zmactep/pymol-rs","commit_stats":null,"previous_names":["zmactep/pymol-rs"],"tags_count":8,"template":false,"template_full_name":null,"purl":"pkg:github/zmactep/pymol-rs","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/zmactep%2Fpymol-rs","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/zmactep%2Fpymol-rs/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/zmactep%2Fpymol-rs/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/zmactep%2Fpymol-rs/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/zmactep","download_url":"https://codeload.github.com/zmactep/pymol-rs/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/zmactep%2Fpymol-rs/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":29587066,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-02-18T16:55:40.614Z","status":"ssl_error","status_checked_at":"2026-02-18T16:55:37.558Z","response_time":162,"last_error":"SSL_connect returned=1 errno=0 peeraddr=140.82.121.6:443 state=error: unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":[],"created_at":"2026-01-28T10:17:45.901Z","updated_at":"2026-02-18T17:01:16.335Z","avatar_url":"https://github.com/zmactep.png","language":"Rust","funding_links":[],"categories":[],"sub_categories":[],"readme":"\u003cp align=\"center\"\u003e\n  \u003cimg src=\"images/pymol-rs.png\" alt=\"PyMOL-RS\" width=\"200\"\u003e\n\u003c/p\u003e\n\n\u003ch1 align=\"center\"\u003ePyMOL-RS\u003c/h1\u003e\n\n\u003cp align=\"center\"\u003e\n  \u003cstrong\u003ePyMOL, reimagined in Rust.\u003c/strong\u003e\u003cbr\u003e\n  Same power. Modern core. 12 crates, ~77K lines, zero legacy baggage.\n\u003c/p\u003e\n\n\u003cp align=\"center\"\u003e\n  \u003cimg src=\"https://img.shields.io/badge/license-BSD--3--Clause-blue.svg\" alt=\"License\"\u003e\n  \u003cimg src=\"https://img.shields.io/badge/rust-1.70%2B-orange.svg\" alt=\"Rust\"\u003e\n  \u003cimg src=\"https://img.shields.io/badge/status-alpha-yellow.svg\" alt=\"Status\"\u003e\n\u003c/p\u003e\n\n---\n\n## Why?\n\nPyMOL is the gold standard for molecular visualization — but it's 25 years of C/C++/Python accumulated into a monolith. PyMOL-RS is a clean-room rewrite that keeps the familiar command language and workflow while replacing the engine:\n\n| | PyMOL (classic) | PyMOL-RS |\n|---|---|---|\n| **Language** | C / C++ / Python | Rust + wgpu |\n| **Rendering** | OpenGL 2.x fixed pipeline | WebGPU (wgpu), GPU impostors |\n| **Architecture** | Monolithic | 12 independent crates |\n| **Python** | Embedded CPython | PyO3 bindings (optional) |\n| **Memory safety** | Manual | Guaranteed at compile time |\n| **Cross-platform** | Build scripts per OS | Single `cargo build` |\n\n\u003e **Alpha status.** Core visualization works. Some advanced features (labels, maps, sessions) are in progress.\n\n## Quick Start\n\n### Pre-built binaries\n\nGrab the latest release for your platform from [Releases](https://github.com/zmactep/pymol-rs/releases/latest).\n\n**Standalone executable** — no Python needed:\n```bash\npymol-rs protein.pdb\n```\n\n**Python wheel** — includes both the CLI and `pymol_rs` module:\n```bash\npip install pymol_rs-\u003cversion\u003e-\u003cplatform\u003e.whl\n```\n\n### Build from source\n\n```bash\ngit clone https://github.com/zmactep/pymol-rs\ncd pymol-rs\nmake release \u0026\u0026 make run\n```\n\n| Target | Command |\n|--------|---------|\n| Release build | `make release` |\n| Debug build | `make debug` |\n| Python wheel | `make python` (requires [maturin](https://github.com/PyO3/maturin)) |\n| Tests | `make test` |\n\n## What works\n\n**Formats:** PDB · mmCIF · MOL2 · SDF/MOL · XYZ (+ gzip)\n\n**Representations:** Spheres (GPU impostors) · Sticks · Lines · Cartoon · Ribbon · Surface (SAS/SES/VdW) · Mesh · Dots\n\n**Selection language** — full PyMOL-compatible syntax:\n```\nchain A and name CA\nbyres around 5 ligand\npolymer and not solvent\n```\n\n**Commands** — familiar PyMOL verbs: `load`, `show`, `hide`, `color`, `select`, `zoom`, `center`, `orient`, `png`, `ray`, …\n\n**GUI** — egui-based interface with command line, object panel, and viewport:\n\n\u003cp align=\"center\"\u003e\n  \u003cimg src=\"images/interface.png\" alt=\"Interface\" width=\"800\"\u003e\n\u003c/p\u003e\n\n## Python API\n\n```python\nfrom pymol_rs import cmd\n\ncmd.load(\"protein.pdb\")\ncmd.show(\"cartoon\")\ncmd.color(\"green\", \"chain A\")\ncmd.select(\"site\", \"byres around 5 ligand\")\ncmd.png(\"output.png\", width=1920, height=1080)\n\n# Extend with custom commands\ndef highlight(selection):\n    cmd.color(\"yellow\", selection)\n\ncmd.extend(\"highlight\", highlight)\ncmd.show_gui()\n```\n\n## Architecture\n\n```\npymol-rs/  (12 crates)\n├── pymol-mol         Core data: Atom, Bond, Molecule\n├── pymol-io          Format parsers \u0026 writers\n├── pymol-select      Selection language (parser + evaluator)\n├── pymol-color       Colors, schemes, ramps\n├── pymol-settings    Configuration system\n├── pymol-algos       Molecular algorithms\n├── pymol-render      wgpu rendering engine\n├── pymol-raytracer   Offline ray tracing\n├── pymol-scene       Viewer, camera, scene graph\n├── pymol-cmd         Command parser \u0026 executor\n├── pymol-gui         GUI (egui)\n└── pymol-python      Python bindings (PyO3 / maturin)\n```\n\nEach crate is independently usable. Want just the selection parser? `pymol-select`. Need to read PDB files in your pipeline? `pymol-io` + `pymol-mol`. No GUI tax.\n\n## Roadmap\n\n- [ ] Labels \u0026 measurements\n- [ ] Crystallographic symmetry mates\n- [ ] Electron density maps\n- [ ] Movie export\n- [ ] Session files (.pse)\n\n## License\n\n[BSD 3-Clause](LICENSE)\n\n## Acknowledgments\n\nInspired by [PyMOL](https://pymol.org/), created by Warren Lyford DeLano. This is an independent reimplementation, not affiliated with Schrödinger, Inc.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fzmactep%2Fpymol-rs","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fzmactep%2Fpymol-rs","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fzmactep%2Fpymol-rs/lists"}