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ZENODO
Software . 2016
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2016
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
bio.tools
Software . 2016
License: MIT
Data sources: bio.tools
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FreeSASA 2.0

Authors: Mitternacht, Simon;
Abstract

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. Version 2.0 involves a large number of minor changes, mainly to the C API. The two most siginificant new featueres is a new tree interface for navigating the results, and the ability to export results to XML and JSON. Changed General Classifier configuration files now have new name field C API Classifier interface changed. Pointer is now opaque and classification done via freesasa_classifier_class() instead of classifier->sasa_class(). Classifiers only classify polar/apolar/unknown. Arbitrary classes no longer allowed. The static classifiers in freesasa.h have reference values for all residue types, allowing calculation of relative SASA for for example RSA output. At the moment no support for defining these values in classifier configuration file (TODO?). Interface for classifying using string-value pairs has been removed (type freesasa_strvp and functions freesasa_result_classifiy() and freesasa_strvp_free()). The new tree-interface should be used instead. Structure interface changed: A structure is initialized with a classifier and the relevant classifier values are stored directly in the structure. This assures that the structure and results are always analyzed with consistent parameters. One effect is that the function freesasa_calc_structure() no longer takes the atomic radii as an explicit parameters. The logging functions freesasa_log(), freesasa_write_result(), freesasa_write_parameters(), freesasa_write_rsa(), freesasa_write_pdb(), freesasa_per_residue(), freesasa_per_residue_type() and freesasa_per_chain() have been removed from the interface. The same functionality can be achieved using freesasa_tree_export(). CLI CLI output format is controlled by the option -f or --format. Options specifying files for specific outpt types have been removed, and the separate options controlling output format have been deprecated (see below). An option --deprecated can be used to list these. This has also made the option -l or --no-log obsolete. Added General New output formats XML using libmxl2 (optional) JSON using JSON-C (optional) RSA (was present already in 1.1, but interface now consolidated) To build FreeSASA 2.0 the libraries libxml2 and JSON-C need to be installed. These can be disabled by ./configure --disable-json --disable-xml to build a dependency-free version of the library. C API New node interface. Results in tree form can be generated using freesasa_calc_tree() or freesasa_tree_init(). The feature was added to facilitate generation of XML and JSON output, but can be used directly to analyze results as well. The results of a calculation are to now best exported using freesasa_tree_export(). Fixed structure.c was refactored, hopefully code is slightly more transparent now general bug cleaning, some minor memory leaks removed. Memory error mocking is now more sophisticated: uses dlsym instead of macros, allowing more uniform test structure. Deprecated CLI options -B, -r, -R, --rsa and -l are deprecated (use -f or --format instead) C API Logging using structure and results now deprecated in favor of using tree interface Function freesasa_select_area() is deprecated

Related Organizations
Keywords

Protein structure analysis, Structural biology

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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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impulse
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