[Zinc-fans] Help needed for Java tool to convert a molecular picture to SMILES string

Leaelaf M Hailemariam lhailema at ecn.purdue.edu
Wed Mar 26 06:19:47 PDT 2008


Dear Zinc forum

I want to make use of the tool found in: http://zinc.docking.org/choose.shtml wherein the molecular structure is 
drawn in a panel and then converted to SMILES strings through the command 
'save smiles'. I have developed an application that uses SMILES strings 
as inputs. Is there some Java code available that can be used for this 
purpose?

regards
Leaelaf


More information about the Zinc-fans mailing list