Published April 14, 2016
| Version 1.1
Software
Open
FreeSASA 1.1: 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. 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.
Changes:
- CLI options --rsa and --rsa-file can be used to output RSA files similar to those of NACCESS. RSA is mainly intended to be useful as a CLI setting, the RSA API is still to be considered experimental. Since there might be need for more functionality before it stabilizes. A file format for RSA reference values might be added in the future, for example.
- Options -O and --radius-from-occupancy were added to allow using the occupancy values in the input file as atomic radii. This can be useful for on the fly changes, or if individual atoms need special treatment.
- An NACCESS configuration is now also stored statically in the library, this allows the CLI to produce RSA output with verified consistency between atomic radii and SASA reference values. This is access through the option --radii=naccess (or --radii=protor).
- Travis and Coveralls testing have been added to the configuration
Files
freesasa-1.1.zip
Files
(767.5 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/mittinatten/freesasa/tree/1.1 (URL)
- 10.12688/f1000research.7931.1 (DOI)