Group functions to read-write PDB files and describe the molecular structures inside (Header) More...
#include <stdlib.h>
#include <sstream>
#include <string>
Go to the source code of this file.
Classes | |
class | Atom |
struct | Atom::Coordinates |
atom id number More... | |
class | Residue |
class | PDB |
Group functions to read-write PDB files and describe the molecular structures inside (Header)
This file contains classes to store the necessary information for a given molecular structure (in pdb or pqr structure file formats) Residues: id, type, etc.. Atoms: id, type, vdw radius, mass, etc. Structure: center of geometry, number of residues and atoms, etc..