de Novo Ambiguous Restraints for Iterative Assignment
A pipeline for automated de novo contact map assignment
ariaec is a Python library that provides de novo structure prediction based on ARIA pipeline and evolutionary restraints inferred from co-evolution.
The package add a new command line interface aside the usual ARIA commands in order to convert data, setup an ARIA project with evolutionary restraints, analyze contact maps or protein structures or generate statistics from a culled list of PDB files.
Quick Start
Be sure to check if the following packages are correctly installed with your python installation or virtual environment.
- pip (>= 18.0)
- git (>= 2.0)
- cns-solve (1.21)
- ccpnmr analysis (optional)
- ccpn data model (optional)
Then the easiest solution is to call the pip command below :
pip install --user git+http://gitlab.pasteur.fr/bis-aria/ariaec.git
For more information about installation and usage, please refer to the ARIAEC documentation
ARIA contains patches for CNS-solve which needs to be compiled after the installation. Please follow post installation instructions.
Contributing
Please read guidelines for contributing for any suggestions or bug report.