A Python package for interactive all-in-one graphical validation of 3D protein model iterations.
Calculates comprehensive per-residue metrics from a model (and reflections) file.
Generates the HTML validation report.
A number of functions that are utilised extensively within the library and are also useful on their own.
Companion scripts for the main module that include tests, timings, and the scripts used to generate data for the metrics module.
The package can now be installed via pip, with the command pip install iris-validation.
For now, the best way to install and run Iris is to use the Python environment that comes with CCP4, by running ccp4-python -m pip install iris-validation
You may first need to install pip, by downloading the install script from https://bootstrap.pypa.io/get-pip.py and running ccp4-python get-pip.py
This is because Clipper-Python, upon which Iris depends, is currently available in a number of different forms, most of which are broken in some way or another. As a consequece, only the Python 2 version of Iris is available. This will be remedied soon.