BetaTurnTool18 and BetaTurnLib18
The software tool, BetaTurn18 reads a protein structure in mmCIF or PDB format, locates beta turns and assigns their types using our 2018 library, BetaTurnLib18 with 18 beta-turn types. BetaTurnLib18 includes conformational centroids and medoids of 18 beta-turn types. It is provided in 3 formats: a plain-text tab-delimited file, PDF and XLSX spreadsheet.
Both the beta-turn tool and library can be downloaded for further use in third-party tools and software. The tool and library are free, open-source, redistributable and modifiable under BSD 3-Clause License. We adopted the software for 3 operating systems: Unix, Mac and Windows. It automatically downloads required Python tools. The only requirement is to have python2 installed.
Usage and instructions
Plese refer to HOW_TO_USE and http://dunbrack.fccc.edu/betaturn/ (more content is to come)
The software is available here on github and as well as on http://dunbrack.fccc.edu/betaturn/. You can study individual files or can download the whole tool and library as a single archive (.tgz).
Shapovalov MV, Vucetic S, Dunbrack RL Jr (2018) A New Clustering and Nomenclature for Beta Turns Derived from High-Resolution Protein Structuresi. bioRxiv. https://doi.org/10.1101/390211 In Review: PLOS Computational Biology.