# 使用 Homebrew, apt, Nix 安装 freesasa 查看 freesasa 的安装路径、可执行文件、元数据以及面向 AI 代理工作流的安全说明。 ## 安装 ```sh sudo av install brew:freesasa ``` 其他安装命令: ### macOS - Homebrew (100%): ```sh brew install freesasa ``` 证据: local Homebrew formula metadata ### Linux - Debian apt (92%): ```sh sudo apt install freesasa ``` 证据: Debian stable package indexes: freesasa from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz - Nix (92%): ```sh nix profile install nixpkgs#freesasa ``` 证据: nixpkgs package indexes: pkgs/by-name/fr/freesasa/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1 ## 软件包事实 - **软件包键:** brew:freesasa - **软件包管理器:** Homebrew - **软件包管理器页面:** - **版本:** 2.1.3 - **来源摘要:** Solvent Accessible Surface Area calculations - **主页:** - **仓库:** - **上游文档:** - **许可证:** MIT - **源码归档:** - **最后更新:** 2026-05-06T00:53:39Z - **已生成:** 2026-07-08T18:08:21+00:00 ## 可执行文件 - freesasa (cli) - freesasa (别名) ## 依赖 - json-c ## 构建依赖 - autoconf - automake - pkgconf ## macOS 提供的库 - libxml2 ## 安装行为 - post-install 钩子: 未定义 - Bottle: 可用 于 arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux ## 版本和新鲜度 - 页面生成时间: 2026-07-08 - 管理器版本: 2.1.3 - 管理器更新时间: 2026-05-06 - 本地数据: OK - 上游仓库: https://github.com/mittinatten/freesasa - 检测到的最新版本: 2.1.3 (当前) ## 项目历史与用法 FreeSASA is a command-line tool and C library for calculating solvent accessible surface area of biomolecules, with Python bindings maintained separately. Its package identity is unusually practical for structural biology: a small native library, a CLI that can process PDB/mmCIF-style inputs, and documented APIs for embedding calculations in other tools. ### 项目历史 The official documentation describes FreeSASA as a C library and C++ command-line tool designed to be simple with defaults while allowing detailed control of calculation parameters. It implements the Lee and Richards algorithm by default and also supports the Shrake and Rupley method. The project was presented in a 2016 F1000Research paper as an open source C library for SASA calculations with command-line and Python interfaces. Later 2.x releases split the Python bindings into a separate repository, changed parts of the C API, and added structured output formats. ### 采用历史 FreeSASA fits the structural-biology toolchain niche where users need repeatable command-line SASA calculation without depending on older closed or narrowly distributed programs. The project's homepage explicitly targets casual users who want direct PDB-file calculation and advanced users who need C or Python APIs. The README documents installation through Homebrew and conda-forge channels as well as source builds, reflecting its adoption as both a scientist-facing command and a library package. ### 使用方式 The basic CLI workflow is to run freesasa on a PDB file with sensible defaults. More advanced use changes algorithms, atomic radii, classifications, output formats, and resolution; the library interface supports calculations directly from coordinates. Version 2.x made output and embedding more package-friendly by consolidating CLI output format selection, adding JSON and XML output options, and separating the Python module so language bindings can be released independently. ### 为什么软件包爱好者会关心 FreeSASA is a compact example of scientific software that packages well: a C ABI, a CLI, optional JSON/XML features, man pages, Doxygen docs, and language bindings. It exposes the usual tradeoff between minimal native dependencies and richer output or parser support. Its 2.1 line added mmCIF input support using Gemmi, which matters because structural biology packaging increasingly has to handle both legacy PDB workflows and modern mmCIF data. ### 时间线 - 2013-2016: FreeSASA 1.1 documentation records early copyright years for Simon Mitternacht. - 2016: FreeSASA paper published describing the project as an open source C library with CLI and Python interfaces. - 2.0: Major API and CLI changes introduced JSON/XML output and a new result tree interface. - 2.0.3: Python bindings separated into the freesasa-python repository. - 2.1.0: mmCIF input support added with Gemmi. ### Related projects - freesasa-python provides the separate Python bindings repository used after the 2.0.3 split. - Gemmi is bundled as a submodule for mmCIF import in the 2.1 line. - NACCESS is a related SASA tool whose parameter set appears as a sample configuration and compatibility reference in FreeSASA documentation. ### 来源 - - - - - - - ## 安全说明 narrow executable package without higher-risk signals. - **Geiger 风险:** 绿色 / 低 - narrow executable package without higher-risk signals ## 源数据库详情 - **Source Database:** Homebrew formula API - **Tap:** homebrew/core - **Full Name:** freesasa - **Version Scheme:** 0 - **Revision:** 0 - **Bottle Stable Root URL:** - **Deprecated:** no - **Disabled:** no - **Keg Only:** no - **URL Keys:** stable ## 其他软件包管理器记录 - Debian apt - freesasa - 2.1.2-4: normalized package name match | Debian stable package indexes: freesasa from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Solvent Accessible Surface Area of biomolecules | https://freesasa.github.io - Nix - freesasa: normalized package name match | nixpkgs package indexes: pkgs/by-name/fr/freesasa/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1 - Ubuntu apt - freesasa - 2.1.2-4: normalized package name match | Ubuntu 24.04 LTS package indexes: freesasa from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Solvent Accessible Surface Area of biomolecules | https://freesasa.github.io ## 相关链接 - [Source-control packages](https://www.automicvault.com/zh-hans/pkg/source-control-tools/) - Belongs to a source-control command family. - [Terminal utility packages](https://www.automicvault.com/zh-hans/pkg/terminal-utilities/) - Matched terminal and command-line workflow metadata. - [Language runtime packages](https://www.automicvault.com/zh-hans/pkg/language-runtime-packages/) - Matched language runtime, compiler, or interpreter metadata. - [Networking and protocol packages](https://www.automicvault.com/zh-hans/pkg/networking-protocol-tools/) - Matched network, protocol, or remote-service metadata. - [autoconf](https://www.automicvault.com/zh-hans/pkg/brew/autoconf/) - Build dependency declared by Homebrew. - [automake](https://www.automicvault.com/zh-hans/pkg/brew/automake/) - Build dependency declared by Homebrew. - [pkgconf](https://www.automicvault.com/zh-hans/pkg/brew/pkgconf/) - Build dependency declared by Homebrew. - [abpoa](https://www.automicvault.com/zh-hans/pkg/brew/abpoa/) - Shares av.db curated category or tags: bioinformatics, c-library, cli, science. - [genometools](https://www.automicvault.com/zh-hans/pkg/brew/genometools/) - Shares av.db curated category or tags: bioinformatics, c-library, cli, science. - [htslib](https://www.automicvault.com/zh-hans/pkg/brew/htslib/) - Shares av.db curated category or tags: bioinformatics, c-library, cli, science. - [abricate](https://www.automicvault.com/zh-hans/pkg/brew/abricate/) - Shares av.db curated category or tags: bioinformatics, cli, science. - [abyss](https://www.automicvault.com/zh-hans/pkg/brew/abyss/) - Shares av.db curated category or tags: bioinformatics, cli, science. - [adapterremoval](https://www.automicvault.com/zh-hans/pkg/brew/adapterremoval/) - Shares av.db curated category or tags: bioinformatics, cli, science. - [alevin-fry](https://www.automicvault.com/zh-hans/pkg/brew/alevin-fry/) - Shares av.db curated category or tags: bioinformatics, cli, science. - [any2fasta](https://www.automicvault.com/zh-hans/pkg/brew/any2fasta/) - Shares av.db curated category or tags: bioinformatics, cli, science. ## Combined YAML source View the package source record on GitHub. [combined/freesasa.yml](https://github.com/automic-vault/db/blob/main/combined/freesasa.yml) ## 来源 - Nucleus package database - Geiger risk classifier - package-page enrichment - curated package history - package version freshness - av.db category and tag curation - package relationship graph - external package-manager database matches - cross-ecosystem install command graph