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.
Download the latest archive, expand it, and run
$ ./configure
$ make
$ sudo make install
This installs the binary freesasa to your path, the header freesasa.h, the library libfreesasa and a man page.
If you got the code directly from the git repo, first
run autoreconf -i to create the configure script (this
requires autotools).
Tarballs for older versions are attached to the GitHub-releases
After building the package, calling
$ freesasa -hexplains how the command line interface (CLI) can be used. If the man pages are installed more info is available through
$ man freesasaTest FreeSASA using web assembly in the browser at the demo page.
pip install freesasaThere is reference documentation for the CLI and the C API, and some implementation details, and for the Python module.
Simon Mitternacht (2016) FreeSASA: An open source C library for solvent accessible surface area calculation.
Version 2 breaks a few parts of the interface. Tarballs for most older versions can be downloaded from the GitHub releases. The documentation and tarball for v1.1 are available at this site.