CCL: Structures or connectivity tables toSMILES
- From: "kalpana krishnaswami"
<kkalpana:-:vsnl.net>
- Subject: CCL: Structures or connectivity tables toSMILES
Sent to CCL by: "kalpana krishnaswami" [kkalpana ~~ vsnl.net]
I need a method to generate SMILES strings for a large number of structures.
Does anyone know a way of doing this. Either a stand alone program that would
read a text file(eg, SD file) or a class or component that we could access
programatically that would work. I would appreciate any help.
Regards
Kalpana