DearAriel,
http://davapc1.bioch.dundee.ac.uk/prodrg/
try this and see,
On Tue, Jul 22, 2008 at 9:42 PM, Ariel Talavera <[EMAIL PROTECTED]> wrote:
>
> Hi all,
>
> I need to create the coordinates of a small molecule with no structure yet.
> Could any one tell me what program can I use to build
My favorite is the elbow builder in phenix. You give it a "smiles"
string and it will build (and optionally, optimize either classically
or quantum-mechanically) your small molecule structure.
http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification
http://www.pheni
Hi all,
I need to create the coordinates of a small molecule with no structure
yet. Could any one tell me what program can I use to build small molecules?
Thanks in advamced.
Ariel
--
Ariel Talavera, Lic.
Dept. of Computational and Structural Biology
Center of Molecular Immunology
P.O.Box 1
