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A Docking Wrapper to Enhance De Novo Molecular Design
DockStream is a docking wrapper providing access to a collection of ligand embedders and docking backends. Docking execution and post hoc analysis can be automated via the benchmarking and analysis workflow. The flexilibity to specifiy a large variety of docking configurations allows tailored protocols for diverse end applications. DockStream can also parallelize docking across CPU cores, increasing throughput. DockStream is integrated with the de novo design platform, REINVENT, allowing one...
SLOCCount is an easy-to-use tool that counts Source Lines of Code (SLOC). It auto-determines the language(s) (inc. C, C++, Ada, Assembly, shell, COBOL, C#, Fortran, Haskell, Java, LISP/Scheme, Perl, PHP, Python, Ruby, SQL). It also estimates cost & time.
...Generates files and then transfers them using the Windows Shell or Finder in OS X. Outputs performance results to .csv and has an optional plotting feature. For documentation, please see the wiki.