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                         ChemConsole v-0.1
			        By
			   Nathan Stevens
			 nat250@cyberwar.com
			  
/*
 * ChemConsole
 * Copyright (c) 1999 Nathan Stevens, all rights reserved.
 *
 * Redistribution and use in source and binary forms, with or without
 * modification, are permitted.
 *
 * This software is provided "as is" and any express or implied warranties,
 * including, but not limited to, the implied warranties of merchantability
 * or fitness for any particular purpose are disclaimed. In no event shall
 * Nathan Steven be liable for any direct, indirect, incidental, special,
 * exemplary, or consequential damages (including, but not limited to,
 * procurement of substitute goods or services; loss of use, data, or
 * profits; or business interruption) however caused and on any theory of
 * liability, whether in contract, strict liability, or tort (including
 * negligence or otherwise) arising in any way out of the use of this
 * software, even if advised of the possibility of such damage.
 */  
			   
Contents:
  1) About
  2) Installation
  3) Using
  4) Bugs
  5) TO DO
  
About:
  ChemConsole provides a GUI to legacy Chemistry applications and allows 
  network access  to those applications. The current version of ChemConsole 
  supports Babel v-1.6 and MOPAC7 on the local computer. Future version will 
  have support for more application such as Gaussian or any other programs  I 
  get request to add or some one else decides to add.

Installation:
  To run ChemConsole you must  have the JRE  v1.1.7 and Swing 1.03 or later 
  installed and configured properly. These programs can be obtained from Sun's
  JavaSoft  web site, www.javasoft.com. ChemConsole may work with earlier 
  version of the JRE and Swing, but I haven't tested it.

  The first thing you need to do get the correct file for your platform. 
  For Unix get the ChemConsole-0.1.tar.gz file. 
  For Dos get  the  ChemConsole-0.1.zip file.

  Next change to the directory in wich you plan to install the program and
  extract the program file using the appropriate method. For Unix this
  would be "tar zxvf ChemConsole-0.1.tar.gz". In Dos this would be "pkunzip
  ChemConsole-0.1.zip" or any other tool that can extract *.zip files. This 
  will create directory name Chemc-0.1 in the directory you extracted the 
  program file.
 
  Finally change to the Chemc-0.1 directory and open the start up script, 
  either chemc.sh or chemc.bat, with your favorite text editor and set Java 
  Class Path. Once this is done you are ready to run the program.

Using:
  Change to the directory in which you install the ChemConsole and execute the
  start up script. This   will open up the main ChemConsole window with the 
  default tool, in this case  it will be Babel. Goto the Tool menu and choose 
  the Configure menu item. The Configure dialog should now be visible.  Next 
  choose the Babel tab and set the location for the Babel version 1.6 binary  
  ( note : the program will only work correctly with Babel v-1.6 ); do the 
  same for Mopac. You are now ready to run use the program.

Bugs:
  Since this is the  0.1 release there may be/are some  bugs I missed. 
  One "bug" that might be a problem on winNT/win95/win98 is that I don't
  know if  *.bat files will be executed properly in Java. This will only be a 
  problem for programs that use *.bat file to start them such as some versions
  of Mopac. The problem is not a problem with my code or Java, but rather the
  limitations of the Dos OS. 

  If you find a bug please let me know by sending a detailed description of 
  the bug to my e-mail address ( nat250@cyberwar.com ). Better yet you can fix
  it and send the source file with the fix  back to me, so that I can include 
  it in future versions of ChemConsole.     

TO DO:
  1) Implement the networking code.
  2) Implement the Help System.
  3) Implement the Gaussian Tool.
  4) Clean up code.
  5) Do a real make file.
  6) Create a wed site for program. 

Modified: Mon May 17 20:57:30 1999 GMT
Page accessed 3657 times since Fri Jul 2 01:45:04 1999 GMT