Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Defines iterator over all distinct pairs of particles.
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#include <Molecular_potential_energy.hpp>
Defines iterator over all distinct pairs of particles.
Defines iterator over all distinct pairs of particles. It also implements a threshold over which pairs of particles are not considered.
CovalentStructure | The type of the input covalent structure, as defined in the package Molecular_covalent_structure |
ConformationType | Representation of a geometric conformation |