{"id":27403433,"url":"https://github.com/hadamove/poms","last_synced_at":"2025-04-14T04:49:57.447Z","repository":{"id":257387186,"uuid":"609677023","full_name":"hadamove/poms","owner":"hadamove","description":"Molecular surface generation and rendering in wgpu.","archived":false,"fork":false,"pushed_at":"2024-09-18T12:28:24.000Z","size":21640,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":1,"default_branch":"main","last_synced_at":"2024-09-19T09:58:29.044Z","etag":null,"topics":["egui","molecular-surface","molecular-visualization","rust","wgpu","winit"],"latest_commit_sha":null,"homepage":"https://hadamove.github.io/poms/","language":"Rust","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/hadamove.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE.md","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}},"created_at":"2023-03-04T22:29:00.000Z","updated_at":"2024-09-18T12:28:28.000Z","dependencies_parsed_at":"2024-09-18T09:39:23.218Z","dependency_job_id":null,"html_url":"https://github.com/hadamove/poms","commit_stats":null,"previous_names":["hadamove/poms"],"tags_count":1,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/hadamove%2Fpoms","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/hadamove%2Fpoms/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/hadamove%2Fpoms/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/hadamove%2Fpoms/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/hadamove","download_url":"https://codeload.github.com/hadamove/poms/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248824694,"owners_count":21167343,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","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":["egui","molecular-surface","molecular-visualization","rust","wgpu","winit"],"created_at":"2025-04-14T04:49:52.305Z","updated_at":"2025-04-14T04:49:57.441Z","avatar_url":"https://github.com/hadamove.png","language":"Rust","funding_links":[],"categories":[],"sub_categories":[],"readme":"# POMS - Portable Molecular Surface\n\nAn implementation of [Molecular Surface](https://en.wikipedia.org/wiki/Accessible_surface_area) generation and rendering, following the approach by Hermosilla et al. \\[1]. It is designed to be highly portable across platforms through the use of [`wgpu`](https://github.com/gfx-rs/wgpu). In addition to molecular surface visualization, the application also offers a simpler space-filling model for molecules and basic post-processing.\n\n\\[1\\]  *Hermosilla, Pedro, et al. \"Interactive GPU-based generation of solvent-excluded surfaces.\" The Visual Computer 33.6 (2017): 869-881.*\n\n## Screenshots\n\n![Demo](./data/demo.png)\n\n## Requirements\n\n- Rust toolchain (recommended installation via [rustup.rs](https://rustup.rs/#)).\n\n\u003e The Minimum Supported Rust Version (MSRV) is defined in `rust-toolchain.toml`. Should match the MSRV required by `wgpu`.\n\n## 🛠️️ Building (MacOS, Windows)\n\n```bash\ncargo run\n```\n\n\n### Features\n\n- `no-vsync`: uncaps the FPS, useful for performance testing:\n\n    ```bash\n    cargo run --features no-vsync\n    ```\n\n\u003e For optimal performance, also include the `--release` flag.\n\n## ️🌐 Building for the Web\n\nTo build the application for the web, we use [`Trunk`](https://trunkrs.dev), a tool for building WebAssembly (WASM) applications in Rust.\n\nFirst install `Trunk` (if you haven't already):\n\n```bash\ncargo install --version ^0.16 trunk\n```\n\u003e This might take a few minutes as it is built from source.\n\nAfter that, to build the application for the web, run:\n\n```bash\ntrunk build --release\n```\n\nThis will generate a `dist` directory with the necessary files to host the application on a web server.\n\nAlternatively, to build and run the application on a local web server, run:\n\n```bash\ntrunk serve --release --public-url \"/\"\n```\n\nwhich installs [`Trunk`](https://trunkrs.dev) and runs it with necessary configuration. This should build our WASM code and start a web server that hosts the application at `localhost:8080`.\n\n#### What happens behind the scenes?\n\n`Trunk` takes care of several things, which would have to be done manually otherwise:\n\n- Builds our Rust code to WASM bytecode using `wasm32-unknown-unknown` platform target, generating a `.wasm` file.\n- Optimizes the WASM code using `wasm-opt`.\n- Generates necessarry glue between WASM and JavaScript using [wasm-bindgen](https://rustwasm.github.io/docs/wasm-bindgen/), generating a `.js` file.\n- Compiles an `index.html` file that loads the WASM code and JavaScript glue.\n- Places all generated files in `dist` directory (you may use `--dist` argument to change the output directory).\n- Starts a simple dev web server that hosts the application from this directory (in case of `trunk serve`).\n\n## 🐧 Building on Linux\n\nOn linux, you might need to install some additional supporting libraries to build and run. On `Ubuntu 22.04`, the following packages are required:\n\n```bash\nsudo apt install libgtk-3-dev libglib2.0-dev libssl-dev\n```","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fhadamove%2Fpoms","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fhadamove%2Fpoms","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fhadamove%2Fpoms/lists"}