CCL: adding hydrogens

[Paul Hawkins <phawkins|a|eyesopen.com>]

 Just to clarify the post from Reaz, OMEGA2 will not add hydrogens to a
 protein. However babel3, our file format interconversion app, will
 perform just this function.
If you would like to apply for a free academic license to use babel3
 (or
 any other parts of the OpenEye suite) please visit www.eyesopen.com.
 The
 academic license application can be found at
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 Paul.
 Reaz Uddin riaasuddin%%yahoo.com wrote:
> I dont know what do you have in terms of molecular
>  modeling software.
>  But Tripos sybyl can easily help you to add hydrogens. In addditon to
>  this, you can use opeeyes omega program. I guess opeyes babel can also
>  help you in this regard.
>  Hope it helps You.
>  Thanks
>  REAZ
>  */"Max Porrini mozz76(0)gmail.com" <owner-chemistry ..
>  ccl.net>/* wrote:
>      Hi all
>      Does anybody know how I can add hydrogens to a system?
>      I've downloaded the pdb file of a enzyme and there aren't hydrogen
>      atoms
>      (for instance the water molecule is formed only by the oxygen).
>      I'd like to saturate my system with the missing hydrogens.
>      Any tips will be very appreciated.
>      thanks a lot
>      MP
>  REAZUDDIN
>  Research Scholar
>  Department of Medicinal Chemistry and Pharmacognosy,
>  College of Pharmacy, (M/C 781)
>  University of Illinois at Chicago
>  833 S. Wood St.
>  Chicago, IL 60612
>  Email: ruddin .. uic.edu, riaasuddin .. yahoo.com
>  ! Web: http://medchem.pharm.uic.edu/
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 --
 Paul C. D. Hawkins
 Senior Applications Scientist
 OpenEye Scientific Software
 phawkins]|[eyesopen.com
 Ph. 505-473-7385 ext. 65

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