de Novo Ambiguous Restraints for Iterative Assignment

A pipeline for automated de novo contact map assignment

Pipeline status Coverage report DOI status

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 and 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 git+https://gitlab.pasteur.fr/bis-aria/ariaec

Warning

This package contains patches for CNS-solve which needs to be compiled after the installation. Please follow post installation instruction before using aria2 pipeline.

For more information about installation and usage, please refer to the ARIAEC documentation.

Contributing

Please read guidelines for contributing for any suggestions or bug report.

License

                    ARIA

Ambiguous Restraints for Iterative Assignment

     A software for automated NOE assignment

                   Version 2.3
Copyright (C) Benjamin Bardiaux, Michael Habeck, Therese Malliavin,
Wolfgang Rieping, and Michael Nilges

All rights reserved.

NO WARRANTY. This software package is provided ‘as is’ without warranty of any kind, expressed or implied, including, but not limited to the implied warranties of merchantability and fitness for a particular purpose or a warranty of non-infringement.

Distribution of substantively modified versions of this module is prohibited without the explicit permission of the copyright holders.

Documentation

API

Indices and tables