Molecular_structure_classifier

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

Main classes:

• T_Hierarchical_labels_forest : Provides a forest structure associated to the labels defined in MolecularSystemLabelsTraits .

• T_Molecular_structure_classifier : Classify the particles of molecular systems that are at a given interface.

• T_Molecular_structure_traits : Traits clas defining types used for the Molecular Structure Classifier

• T_Molecular_structure_classifier_module : Module classifying the particles of a molecular structure following their system's labels.