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Tools to enable structural systems biology

Project description

Introduction

This Python package provides a collection of tools for people with questions in the realm of structural systems biology. The main goals of this package are to:

  1. Provide an easy way to map genes to their encoded proteins sequences and structures

  2. Directly link structures to genome-scale SBML models

  3. Prepare structures for downstream analyses, such as their use in molecular modeling software

  4. Demonstrate fully-featured Python scientific analysis environments in Jupyter notebooks

Example questions you can (start to) answer with this package:

  • How can I determine the number of protein structures available for my list of genes?

  • What is the best, representative structure for my protein?

  • Where, in a metabolic network, do these proteins work?

  • Where do popular mutations show up on a protein?

  • How can I compare the structural features of entire proteomes?

  • How can I zoom in and visualize the interactions happening in the cell at the molecular level?

  • How do structural properties correlate with my experimental datasets?

  • How can I improve the contents of my model with structural data?

  • and more…

Installation

First install NGLview using pip:

pip install nglview

Then install ssbio:

pip install ssbio

Updating

pip install ssbio --upgrade

Uninstalling

pip uninstall ssbio

Dependencies

See: Software Installations for additional programs to install. Most of these additional programs are used to predict or calculate properties of proteins.

Tutorials

Check out some Jupyter notebook tutorials for a single Protein and or for many in a GEM-PRO model.

Citation

The manuscript for the ssbio package can currently be found and cited at bioRxiv [1].

Project details


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ssbio-0.9.9.2.tar.gz (162.5 kB view hashes)

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