FreeSASA 1.0.2: Solvent Accessible Surface Area Calculations
Description
FreeSASA is an open source library and command line tool to calculate the solvent accessible surface areas of protein molecules. 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.
This release involves some cleanup, refactoring and added documentation. A reference to the final accepted paper has been added to the readme-file.
The only changes to the code that affect users are thread-related:
- If thread-creation or joining fails, the program stops the calculation gracefully instead of aborting
- If a user requests more threads than there are atoms, the number of threads is reduced to the number of atoms (instead of the program stalling) and a warning is printed.
Files
freesasa-1.0.2.zip
Files
(770.8 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/mittinatten/freesasa/tree/1.0.2 (URL)
- 10.12688/f1000research.7931.1 (DOI)