UCSF banner
make
decoys

This tool will make decoys for you. Enter the SMILES of the molecule for which you want decoys, or pick a file of smiles (one per line) to use. This method will pick 100 property matched decoys by default.

OR

to calculate names.
A product of BCIRC, the Bioinfomatics and Chemical Informatics Research Center @ UCSF. Last updated Jan 2, 2008. Please direct email as follows: bug reports to support at docking.org; comments to comments at docking.org; questions and discussion to blaster-fans at docking.org.