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/* $Revision$ $Author$ $Date$
 * Copyright (C) 2007  Ola Spjuth <ospjuth@users.sf.net>
 * Contact: cdk-devel@lists.sourceforge.net
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 * All we ask is that proper credit is given for our work, which includes
 * - but is not limited to - adding the above copyright notice to the beginning
 * of your source code files, and to any copyright notice that you may distribute
 * with programs based on this work.
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * GNU Lesser General Public License for more details.
 * You should have received a copy of the GNU Lesser General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
package org.openscience.cdk.libio.md;

import org.openscience.cdk.AtomContainer;
import org.openscience.cdk.interfaces.IAtomContainer;

 * A residue is a named, numbered collection of atoms in an MDMolecule.
 * Residues are used to partition molecules in distinct pieces.
 * @author ola
 * @cdk.module libiomd
 * @cdk.githash
00039 public class Residue extends AtomContainer{

00041       private static final long serialVersionUID = 6548353601272976798L;

      private int number;
      private String name;
      private MDMolecule parentMolecule;

       * Empty constructor
00050       public Residue(){
       * Constructor to create a Residue based on an AC, a number, and a MDMolecule.
00056       public Residue(IAtomContainer container, int number, MDMolecule parentMolecule) {

      public String getName() {
            return name;

      public void setName(String name) {
            this.name = name;

      public int getNumber() {
            return number;

      public void setNumber(int number) {
            this.number = number;

      public MDMolecule getParentMolecule() {
            return parentMolecule;

      public void setParentMolecule(MDMolecule parentMolecule) {
            this.parentMolecule = parentMolecule;


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