This page allows you to supply SMILES strings or a URL to a SMILES file and get back
the 3D coordinates of the moleculesin SD format. This page is based on a web service so you can
access this functionality in other envrionements as well. It makes use of the
smi23d program. The 3D structures are
not necessarily the lowest energy conformations, but are reasonable starting points for
further study.
Though the service is reasonably fast it can get slow if very large molecules (> 100 heavy atoms)
or large numbers of SMILES are supplied. Right now there is a limit of 200 molecules that can
be processed. As we move the service to a better machine, we'll up the limit
NOTE: For some reason this page doesn't work with IE. So
Firefox or
Safari are the preferred browsers.