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management and analysis of design populations

Project description

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The rstoolbox is a python library aimed to the analysis and management of big populations of protein or nucleotide decoys.

bioRxiv BMC Bioinformatics

Although inspired by the output of the protein design tool ROSETTA, the library aims to be of a wider applicability, and can be easily set up to retrieve data from other design tools.

It is particularly aimed towards two distinct user profiles:

  1. Protein designers comfortable with light scripting to process their data. Ideally, used to work with Ipython, for which this library has a particular affinity.
  2. Developers that develop new protein design tools/protocols/approaches and wish to benchmark their innovations with previously existing methods.

See a working example notebook at:

Binder

Despite its name, the library does not require a local installation of ROSETTA, files can be imported from whatever cluster service the user has access to. That said, some functions can or need to exploit ROSETTA. Those functions are few and their requirements are clearly highlighted on their documentation.

Start using the rstoolbox is as easy as installing it via pip:

pip install rstoolbox

A complete documentation with detailed explanation for each function is available.

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