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Jhsmit / PyHDX

Derive ΔG for single residues from HDX-MS data
http://pyhdx.readthedocs.io
MIT License
28 stars 12 forks source link
hdx-ms protein-dynamics protein-structure

readme

PyHDX

zenodo biorxiv license docs

PyHDX is python project which can be used to derive Gibbs free energy from HDX-MS data.

PyHDX web

PyHDX latest documentation

PyHDX on YouTube

screenshot

Installation

Installation of the latest stable beta with pip:

$ pip install pyhdx

Installation with web interface extra:

$ pip install pyhdx[web]

Conda install (includes web interface extra):

$ conda install pyhdx

Run PyHDX

Most up-to-date code examples are in the directory pyhdx/templates

To run the web server:

$ pyhdx serve

Please refer to the docs for more details on how to run PyHDX.

Web Application

The PyHDX web application is currently hosted at: http://pyhdx.jhsmit.org

A test file can be downloaded from here and here (right click, save as).

A beta version might be available at: http://pyhdx-beta.jhsmit.org

Publication

Our Analytical Chemistry Publication describing PyHDX can be found here

The latest version (v2) of our biorxiv paper: https://doi.org/10.1101/2020.09.30.320887

Python code for analysis and generation the figures in the paper are here: https://github.com/Jhsmit/PyHDX-paper

Other

HDX MS datasets repository and format: https://github.com/Jhsmit/HDX-MS-datasets

HDXMS datasets python bindings: https://github.com/Jhsmit/hdxms-datasets