cct.amber
Class AmberPrep

java.lang.Object
  extended by cct.amber.AmberPrep

public class AmberPrep
extends java.lang.Object

Title: Jamberoo - Computational Chemistry Toolkit

Description: Collection of Computational Chemistry related code

Copyright: Copyright (c) 2005-2009 Dr. Vladislav Vasilyev

Company: The Australian National University


Constructor Summary
AmberPrep()
           
 
Method Summary
 void getMolecularInterface(MoleculeInterface molec)
           
static void main(java.lang.String[] args)
           
 void parsePrepFile(java.lang.String filename, int fileType)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Constructor Detail

AmberPrep

public AmberPrep()
Method Detail

getMolecularInterface

public void getMolecularInterface(MoleculeInterface molec)
                           throws java.lang.Exception
Throws:
java.lang.Exception

main

public static void main(java.lang.String[] args)

parsePrepFile

public void parsePrepFile(java.lang.String filename,
                          int fileType)
                   throws java.lang.Exception
Throws:
java.lang.Exception