Subject: Assigning Bond Orders/Types

From: "[email-masked]" <[email-masked]>
Date: Wed, 4 Oct 1995 08:46:50 +1

Dear Pat,

> I guess I wasn't clear in my request for bond order algorithms.  I am
> not interested fractional bond orders or natural bond orders.  I would
> like to be able to simply assign single, double and triple bonds in a
> molecule.  
> 

Mol2Mol is a Windows based interactive conversion program with
several useful utilities

This program reads and writes many of the widely used file formats in
chemistry. If connectivity or bond types are missing,
it can assign 1/2/3/amide/aromatic bond types, according to 
the taste and type of the target molfile. It is capable of assigning
bonds in the case of conjugated heteroatoms or "unusual" atoms
(carbonium, oxonium, anions etc). The input molecule, of course, must
possess the correct 3D geometry. It is available from 

Cherwell Scientific Publ .Ltd
The Magdalen Centre, Oxford Science Park, Oxford, OX4 4GA
Tel: +44 (0)1865 784800	Fax: +44 (0)1865 784801
e-mail: [email-masked]

Best wishes 

Tamas

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   Tamas E. Gunda, Ph.D.               phone: (+36-52) 316666 ext 2479
   Research Group of Antibiotics       fax  : (+36-52) 310936
   L. Kossuth University               e-mail: [email-masked]
   POBox 36                                   
   H-4010 Debrecen
   Hungary
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