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.phenix-online.org/documentation/elbow.htm
You can also build one using a "smiles" string in coot.
http://www.msg.ucsf.edu/local/programs/coot/user-manual.html#SEC112
On Jul 22, 2008, at 1:42 PM, Ariel Talavera 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
small molecules?
Thanks in advamced.
Ariel
--
Ariel Talavera, Lic.
Dept. of Computational and Structural Biology
Center of Molecular Immunology
P.O.Box 16040, Havana 11600
Cuba
tel: (53-7) 271 7933, ext. 219
fax: (53-7) 272 0644
email: [EMAIL PROTECTED]
