Sample Python Scripts

The following scripts are maintained within the Xplor-NIH distribution. The path listed indicates the script's location within the distribution. This directory also includes all necessary auxiliary files.

eginput/protG/anneal.py A simple example of using NOE, RDC and J-coupling restraints in refinement of 1gb1 can be found in the script.
eginput/gb1_rdc/refine.py Example of refinement of gb1 using multiple RDC experiments in multiple media.
eginput/dock_dipolar_chemshift/dock_tor_rigid.py Docking of protein-protein complexes based on highly ambiguous distance restraints derived from chemical shift mapping and dipolar couplings.
eginput/gb3_ensemble/order.py Ensemble refinement of order parameters and dipolar couplings recorded in multiple alignment media and analysis of amplitudes of backbone dynamics and correlated motions.