Subject: Re: CCL:amphiphilic molecule

From: "Dr. David N. Haney" <[email-masked]>
Date: Wed, 9 Oct 2002 11:26:26 -0700 (PDT)

Eric:

I am not sure what type of information you are looking for
> from your amphiphilic molecule, but software such as
HINT from eduSoft is designed precisely to calculate the
hydrophobic and hydrophilic parts of molecules.  The information
is printed to a text file on an atom by atom basis and can
be put out to a contour file to be used with various graphics
programs.  For more information see:

http://www.edusoft-lc.com/hint/

or email me.

> Hi, I wonder if there is an efficient way to calculate
> the hydrophobic and/or hydrophilic end of an
> amphiphilic molecule either by QM or MM. Thanks.
> 
> Best,
> -Eric

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