Request for SMILES to 2D algorithm

Ilmari Krebs ik at bdal.de
Tue Oct 12 11:00:41 EST 1999


Try http://vanilla.ice.mpg.de/~stein/projects/SmilesViewer/ e.g.

Ilmari

adam moore wrote:
> 
> Hi there!
> 
> I'm trying to find a script/algorithm/code fragment that will generate a
> 2D coordinate set from a SMILES formula (e.g. CCc1ccccc1CO)
> Please mail anything available to:
> adam.moore at stones.com
> 
> Adam Moore
> Virtual School of Molecular Sciences
> School of Pharmaceutical Science, University of Nottingham
> http://www.vsms.nottingham.ac.uk/vsms/




More information about the Bio-soft mailing list