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<!DOCTYPE html>
<html>
  <head>
    <meta charset="utf-8" />
    <meta http-equiv="X-UA-Compatible" content="chrome=1" />
    <title>FreeSASA</title>
    <meta name="author" content="Simon Mitternacht" />
    <meta
      name="description"
      content="Open source C library for solvent accessible surface area (SASA) calculations"
    />
    <meta name="og:title" content="FreeSASA" />
    <meta
      name="og:description"
      content="Open source C library for SASA calculations"
    />
    <link rel="stylesheet" href="main.css" />
    <link
      rel="icon"
      type="image/x-icon"
      href="https://assets-cdn.github.com/favicon.ico"
    />
    <meta name="viewport" content="width=device-width, initial-scale=1" />
  </head>
  <body>
    <header>
      <nav>
        <a href="freesasa-2.1.2.zip">Download</a>
        <a href="https://github.com/mittinatten/freesasa" id="github">Code</a>
        <a href="doxygen/">Docs</a>
        <a href="demo/">Demo</a>
        <a href="http://f1000research.com/articles/5-189/v1">Paper</a>
      </nav>
    </header>
    <main>
      <h1>FreeSASA</h1>
      <p>
        FreeSASA is a command line tool, C-library and Python module for
        calculating solvent accessible surface areas (SASA). Casual users can
        calculate SASA directly from a PDB file with no configuration overhead
        using sensible default parameters. Advanced users can configure all
        calculation parameters and also use the C and Python APIs to perform
        calculations directly on arrays of coordinates.
      </p>
      <h2>Build from source</h2>
      <p>
        Download the <a href="freesasa-2.1.2.zip">latest archive</a>, expand it,
        and run
      </p>
      <pre>
./configure
make
sudo make install</pre>

      <p>
        This installs the binary <code>freesasa</code> to your path, the header
        <code>freesasa.h</code>, the library <code>libfreesasa</code> and a man
        page.
      </p>

      <p>
        If you got the code directly from the git repo, first run
        <code>autoreconf -i</code> to create the configure script (this requires
        autotools).
      </p>

      <p>
        Tarballs for older versions are attached to the
        <a href="https://github.com/mittinatten/freesasa/releases"
          >GitHub-releases</a
        >
      </p>

      <h2>Install using package managers</h2>

      <p>
        You can install binaries that have already been built using package managers for
        some platforms.
      </p>

      <h3>Homebrew</h3>
      <p>With homebrew on MacOS (amd64, arm64) or Linux (amd64):</p>

      <pre>brew install brewsci/bio/freesasa</pre>

      <h3>Conda, mamba or pixi</h3>

      <p>
        With conda, mamba or pixi on Linux (amd64, arm64, ppc64le) or MacOS (amd64, arm64):
      </p>

      <pre>
# conda
conda install -c conda-forge freesasa-c

# mamba
mamba install -c conda-forge freesasa-c

# pixi
pixi add freesasa-c</pre>

      <h2>Running FreeSASA</h2>

      <p>After building the package, calling</p>

      <pre>freesasa -h</pre>

      <p>
        explains how the command line interface (CLI) can be used. If the man
        pages are installed more info is available through
      </p>

      <pre>man freesasa</pre>

      <h2>Demo</h2>
      <p>
        Test FreeSASA using web assembly in the browser at the
        <a href="/demo">demo page</a>.
      </p>

      <h2>Python bindings</h2>
      <p>
        From version 2.0.3 the Python bindings are released as a
        <a href="https://github.com/freesasa/freesasa-python">separate module</a
        >. They can be installed using
      </p>

      <pre>
# PyPI
pip install freesasa

# conda
conda install -c conda-forge freesasa</pre>

      <h2>Documentation</h2>
      <p>
        There is <a href="doxygen/" id="doxygen">reference documentation</a> for
        the <a href="doxygen/CLI.html">CLI</a> and the
        <a href="doxygen/API.html">C API</a>, and some implementation details,
        and for the <a href="python/">Python module</a>.
      </p>

      <h2>Citing FreeSASA</h2>
      <p>
        Simon Mitternacht (2016)
        <a href="http://f1000research.com/articles/5-189/v1"
          >FreeSASA: An open source C library for solvent accessible surface
          area calculation</a
        >. <emph>F1000Research</emph> 5:189 (doi:
        <a href="http://dx.doi.org/10.12688/f1000research.7931.1"
          >10.12688/f1000research.7931.1</a
        >)
      </p>

      <h2>Legacy versions</h2>
      <p>
        Version 2 breaks a few parts of the interface. Tarballs for most older
        versions can be downloaded from the
        <a href="https://github.com/mittinatten/freesasa/releases"
          >GitHub releases</a
        >. The <a href="1.1/index.html">documentation</a> and
        <a href="freesasa-1.1.tar.gz">tarball</a> for v1.1 are available at this
        site.
      </p>
      <p>&nbsp;</p>
    </main>
    <footer>
      <div class="footer-contents">
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          <p>
            License:
            <a href="https://opensource.org/licenses/MIT" id="license">MIT</a>.
          </p>
          <p>Copyright: Simon Mitternacht 2013-2023.</p>
          <p>
            This project is maintained by
            <a href="https://github.com/mittinatten" id="github-user"
              >mittinatten</a
            >.
          </p>
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