Molecular_covalent_structure

Representation of the topology of a molecule Reference Manual – User Manual . Authors: F. Cazals and A. Chevallier and T. Dreyfus

Main classes:

• T_Molecular_covalent_structure : Representation of the covalent structure of a molecular conformation.

• T_Molecular_covalent_structure_builder_for_protein_martini : Builds a covalent structure from a given model.

• T_Molecular_covalent_structure_builder_for_proteins : Builds a covalent structure from a given model.

• T_Molecular_covalent_structure_optimal : Optimized representation of the covalent structure of a molecular conformation.

• T_Particle_info_for_proteins : Information on the particle to attach to the vertices of the covalent structure when using it with force fields.

• T_Particle_info_traits : Concept for manipulating particle info attached to a covalent structure.

• T_Molecular_covalent_structure_loader : Loader for covalent structures from PDB / mmCIF files

• T_Molecular_covalent_structure_loader_from_MOL : Loader for covalent structures from MOL files

• T_Molecular_covalent_structure_loader_from_PDB : Loader for covalent structures from PDB files using ESBTL