mFES - molecular Finite Element Solver  0.4
Classes
Residue.h File Reference

Holds the general description of a residue in proteins. More...

#include <string>
#include <vector>
#include <set>
#include <map>
#include "Atom.h"
#include "tCycle.h"

Go to the source code of this file.

Classes

class  Residue
 This class is a datastructure to represent residues in proteins. More...

Detailed Description

Holds the general description of a residue in proteins.

A datastructure for residues is built, knowing if they are titratable groups, their atom lists and other information.

Author:
Ilkay Sakalli