Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.

Binding_affinity_prediction is package implementing a complete workflow to predict affinities from geometrical and biophysical parameters using bound and unbound crystallographic structures. It generates and evaluates linear models using various combinations of these parameters and selects the most accurate ones. Reference ManualUser Manual . Authors: S. Marillet and P. Boudinot and F. Cazals

Main classes: