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 tarball, expand it and run
$ 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
autoreconf -i to create the configure script (this
Tarballs for older versions are attached to the GitHub-releases
After building the package, calling
$ freesasa -h
explains how the command line interface (CLI) can be used. If the man pages are installed more info is available through
$ man freesasa
Test FreeSASA using web assembly in the browser at the demo page.
pip install freesasa
Simon Mitternacht (2016) FreeSASA: An open source C library for solvent accessible surface area calculation.