SDA (SDA flex)  7.2
Simulation of Diffusional Association
Classes
PDBstructure.hpp File Reference

Group functions to read-write PDB files and describe the molecular structures inside (Header) More...

#include <stdlib.h>
#include <sstream>
#include <string>
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Classes

class  Atom
 
struct  Atom::Coordinates
 atom id number More...
 
class  Residue
 
class  PDB
 

Detailed Description

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..

Author
Musa Ozboyaci
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