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

Packages

 Alignment_engines
 Engines performing alignments of sequences or structures
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus and S. Marillet and R. Tetley

 
 Alpha_complex_of_molecular_model
 3D weighted $\alpha$-complex from the CGAL library where vertices have an attached particle
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus

 
 Apurva
 Structural alignment ...
Reference ManualUser Manual . Authors: N. Malod-Dognin and R. Andonov

 
 Buried_surface_area
 Algorithm for computing the surface area of a molecule buried in another molecule
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus

 
 Molecular_coordinates
 Conversion between coordinate systems for a molecule
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus

 
 Molecular_covalent_structure
 Representation of the topology of a molecule
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus

 
 Molecular_distances
 Algorithms computing different kind of distances between molecular conformations.
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus

 
 Molecular_geometric_model_classifier
 Data structure classifying the contacts between atoms of a molecular geometric model.
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus

 
 Molecular_interfaces
 Data structures and algorithms for computing the interface patches between different partners in a molecule
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus

 
 Molecular_potential_energy
 Computation of the potential energy of a molecule
Reference ManualUser Manual . Authors: F. Cazals and A. Chevallier and T. Dreyfus

 
 Molecular_structure_classifier
 Data structure classifying contacts between atoms of different partners in a molecule
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus

 
 Pointwise_interactions
 A package to report pointwise interactions from atomic data
Reference ManualUser Manual . Authors: F. Cazals and R. Tetley

 
 Real_value_function_minimizer
 Under Construction
Reference ManualUser Manual . Authors: A. Roth and F. Cazals and T. Dreyfus

 
 Tertiary_quaternary_structure_annotator
 A package to annotate contacts within tertiary and quaternary structures
Reference ManualUser Manual . Authors: F. Cazals and and T. Dreyfus and R. Tetley

 
 Transition_graph_traits
 Under Construction
Reference ManualUser Manual . Authors: F. Cazals and T. Dreyfus

 

Description

Computational Structural Biology.

This set of packages present specific algorithms used in Computational Structural Biology, such as the classification of molecular structures, the definition of molecular interfaces, and the computation of buried surface areas.