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Re_View copyright Jeffrey J. Gosper (castjjg@brunel.ac.uk)

Author:	Dr Jeffrey J. Gosper
	Chemistry dept.
	Brunel University
	Uxbridge, Middx, UB8 3PH
	U.K.

This version is a public domain and may be freely distributed. 

OVERVIEW
RE_VIEW is essentially a molecular viewer, animator, analyzer, and MOPAC reaction path
converter. The program runs under Windows 3.0 or 3.1, and although the program definitely
benefits from 8 Mbytes (or even more memory) the minimum recommended memory is 4
Mbytes. 

The major functions of RE_VIEW include the ability to:
     1) Display and manipulate molecules in 3D;
     2) Animate reaction pathways;
     3) Align the steps/frames within an animation, along a vectors or onto a plane;
     4) Animate normal modes of vibration;
     5) Monitor geometries (lengths, angles and dihedrals);
     6) Provide tabulated geometrical data (which can be readily incorporated into
         spreadsheets); and
     7) Automatically produce high quality 'ray-traced' images and animation sequences.

RE_VIEW INSTALLATION INSTRUCTIONS
Re_view has been distributed as a zip file and should be unzipped into a directory called re_view. An icon for re_view can then be created and Re_view run in the usual Windows way. (N.B. Many of the options within Re_view require write access to the working directory).

The unzipping process will create the executable file (re_view.exe), a necessary linked library (vbrun300.dll), a manual (in simple text format) and a number of sample input files (see below).

***************************************************************************
Disclaimer:

  If you use Re_view, you do so at your own risk.  I won't be held
  responsible for adverse effects.

***************************************************************************
The sample files provided include:
rev_da.qlp - 	a MOPAC (see below) reaction coordinate output file.
bensm_vib.qlp - a MOPAC vibrational analysis output file.
ch2f2.qlp - 	another vibration analysis file.
claisen.xyz - 	a rearrangement reaction (see below)
dipham1.xyz - 	a conformational analysis created using AM1 within MOPAC
antimark.xyz - 	the anti-Markovnikov addition of HCl to propene (see below).   
markov.xyz - 	the Markovnikov addition of HCl to propene (see below).
sn2.xyz - 	a sample Sn2 reaction.
sn2_mod.xyz - 	This example has been generated from the data in sn2.xyz using
		the align and add step options within Re_view. 

****************************************************************************
The data in Antimark.xyz and markov.xyz was provided by:
Prof. Leif Saethre
Prof. Knut J. Boerve
Dr.   Bjoern K. Alsberg
M.Sc. Vidar R. Jensen

Dep. of Chemistry
                  Univ. of Bergen
                  Allegt. 41
                  N-5007 Bergen
                  NORWAY
		Work tlph.      : +47-55213379	
		fax        : +47-55329058
		E-mail     : Vidar.Jensen@kj.uib.no

The following note was provided by the Prof Saethre et. al.:
> We have recently performed reaction pathway calculations on one of the 
> classic organic reactions, namely electrophilic addition of HCl to 
> propylene. We have calculated (SCF/6-31G**) both the Markovnikov and 
> anti-Markovnikov addition, starting from a common molecular complex.

> The first point is a molecular complex which is common for both 
> Markovnikov and anti-Markovnikov.
> The line "FINAL..." now gives the Hartree-Fock energy (kcal/mol) relative 
> to the asymptote of infinite separation of reactants (HCl and propene).

****************************************************************************
Claisen.xyz was provided by:
Dr. Daniel L. Severance" 

Dr Severance noted that the data comes from a calculation simulating the gas 
phase Claisen rearrangement. The data comes from a G92 IRC run using the 6-31G(d) 
basis set.

****************************************************************************
MOPAC is a widely used semi-empirical quantum mechanical program, originally written 
by James Stewart at the Frank J. Seiler Research Laboratory at the USAF Academy. 
It has been ported to a number of different platforms including the PC. A public domain 
version of MOPAC 6.0 has been ported to DOS by Peeter Burk and Ivar Koppel at the University 
of Tartu, Estonia  and is available by anonymous FTP from ccl.net in the 
directory /pub/chemistry/software/MS-DOS/mopac_for_dos in a zipped form. This zip file
does not include the manual, but you can find it at the same location (ccl.net) in the 
directory /pub/chemistry/documents/mopac_doc.

****************************************************************************
                          S H A R E W A R E

License is granted for the use of this software and this file on a
no charge, sharing basis. You may distribute and copy this software and
this file, and the order form, freely as long as it remains a complete unaltered package
and is not sold for profit.

If you would like to receive the full version of Re_view in which the user can read in there
only files please complete the order form. When I receive your order form and payment, I will
send you a  package containing the latest version of Re_view, a printed  manual  describing  
the program, and several additional sample input files which further illustrate what you can 
do with Re_view. 

Please mail your order form and payment to:
     	Dr Jeffrey J. Gosper
	Chemistry dept.
	Brunel University
	Uxbridge, Middx, UB8 3PH
	U.K.
Modified: Thu Jan 5 17:00:00 1995 GMT
Page accessed 9406 times since Sat Apr 17 21:22:32 1999 GMT