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

Packages

 Conformational_ensemble_analysis
 This package provides methods to assess the conformational diversity of an ensemble of conformations.
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus and C. Roth

 
 Conformational_ensemble_comparison
 This package provides methods to compare, from a geometric/structural standpoint, two ensembles of conformations.
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus and C. Roth

 
 Energy_landscape_analysis
 This package provides various methods to analyze sampled energy landscapes, with in particular various statistics on its transition and connectivity graphs.
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus and C. Roth

 
 Energy_landscape_comparison
 This package package provides method to perform various comparisons of two samples energy landscapes, taking into account the location of local minima, their occupancy probabilities, and possible their connections as encoded in a transition graph.
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus and D. Mazauric

 
 Landscape_explorer
 This package provides sampling algorithms for energy landscapes, in the Monte Carlo realm, namely, basin hopping, rapidly expanding random trees, and hybrid algorithms mixing the previous two algorithms.
Reference ManualUser Manual . Authors: F.Cazals and T. Dreyfus and C. Robert and A. Roth

 
 Transition_graph_of_energy_landscape_builders
 This package provides methods to build transition graphs, i.e. graphs connecting local minima of an energy landscape, across index one saddles.
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus and C. Roth

 

Description

Applications dealing with molecular flexibility.