Subject: Re: CCL:W:A liitle help with Insight

From: Donna Bassolino-Klimas <donna=at=stone.congenomics.com>
Date: Mon, 27 Jun 2005 18:21:58 -0400 (EDT)

> 
> Ensure that you have add hydrogen atoms to your molecule.  Modeler 
> typically does not place all hydrogens in your structure.  Thus as far as 
> InsightII and Discover are concerned you do not have the correct 
> chemistry.
> 
  Also remember to add the hydrogens at neutral pH ... otherwise
  some will be charged and your resulting structure will have an
  overall charge.

  Donna

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Donna Bassolino-Klimas, Ph.D.
DBK Web Development
donna=at=dbkonline.com
www.dbkonline.com