Derive ΔG for single residues from HDX-MS data
Project description
PyHDX
PyHDX is python project which can be used to derive Gibbs free energy from HDX-MS data.
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
The latest beta docs are found here
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 (alpha): https://github.com/Jhsmit/HDX-MS-datasets
HDXMS datasets python bindings: https://github.com/Jhsmit/hdxms-datasets
Project details
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