Published October 9, 2015
| Version 0.5.1
Software
Open
FreeSASA 0.5.1: solvent accessible surface area calculation
Description
FreeSASA is an open source library and command line tool to calculate the solvent accessible surface areas of protein molecules. This is the first release submitted to Zenodo. See GitHub for the change-log up to this date. The library is as fast and accurate as existing tools, with the advantage of being open source and available as both a library, a command line tool and it has Python bindings.
Until there is a formal publication for this project use of FreeSASA can be cited using this DOI or that of later versions.
Notes
Version 0.5.1 adds a new feature that allows users to select atoms using a subset of the Pymol "select" command syntax (see http://freesasa.github.io/doxygen/Selection.html) using all three interfaces. The selections are parsed using Flex/Bison lexers/parsers, but the autogenerated code is included in the repo so that the users doesn't have to build them from scratch.
A few bug fixes were done, mainly removing memory leaks and adding error checking where it was missing.
This was the last major feature that was planned before a 1.0 release. Focus is now to extend testing to look for more bugs, clean up and simplify code where possible, improve documentation and look over the API one last time to see if any more refinements can be made to increase intuitivity, stability and modularity.
Files
freesasa-0.5.1.zip
Files
(746.8 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:19665bb91f3b49e0c82071d6667768a8
|
746.8 kB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/mittinatten/freesasa/tree/0.5.1 (URL)