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Date: Tue, 19 Apr 1994 09:14:41 -0300 (BDT)
From: Rafael N Szeinfeld <szeinfel-: at :-fox.cce.usp.br>
Subject: Re: CCL:helix dipole
To: Margaret Wong <marg[ AT ]chem1.chem.swin.oz.au>
cc: CHEMISTRY -x- at -x- ccl.net
In-Reply-To: <9404182218.AA27929 {*at*} chem1.chem.swin.oz.au>
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On Tue, 19 Apr 1994, Margaret Wong wrote:

> 
> Dear Networkers
> 
> Is there any way to calculate the dipole on a helix
> in a protein.  Several papers I have read recently talk
> about the importance of the helix-dipole but none quantify
> this value.
> 
> 
> THANKS
> 
> 
> Margaret Wong
> 
>   _    Dr Margaret Wong     V    marg ^at^ chem1.chem.swin.oz.au  _--_|\    
>  (_)o  Chemistry Dept      | |   mgw- at -stan.xx.swin.oz.au     /      \    
>  /\  \ Swinburne Uni      /___\   Ph.  03 819 8542          \_.--.x/
>        Hawthorn,OZ,3122  /_____\  Fax  03 819 0834                v 
> 
	For each pair of opposite charges in the helix you have a dipole
momentum vector that points from the positive to the negative charge so I
suppose the total dipole momenta vector of that helix will be the
vectorial sum of all these vectors. How to calculate it in practice (that 
is, if there are approximation methods or computer algorhitms) I don't know.
	Hope this help.

			Rafael Najmanovich