CCL: STRUCTURES TO SMILES
- From: "Igor Filippov [Contr]"
<igorf:_:helix.nih.gov>
- Subject: CCL: STRUCTURES TO SMILES
- Date: Fri, 25 Nov 2005 11:47:14 -0500
Sent to CCL by: "Igor Filippov [Contr]" [igorf-x-helix.nih.gov]
No offense but questions like that make me wonder if
people have stopped even trying to do something themselves, instead
preferring just to dump it on the maillist in hopes somebody will do the
job for them. Have you tried using Google ? It's quite a powerful tool
for finding things.
As for the answer to the question CACTVS, Pipeline Pilot,
Daylight Toolkit all provide this functionality. In fact it's hard to
find a chemoinformatics toolkit that DOESN'T do conversions to/from
SMILES.
If you just want something that converts a drawn structure into SMILES
Java Molecular Editor as well as a dozen other applications will do the
trick.
If you only want to convert one or two structures you're welcome
to use online tools at http://cactus.nci.nih.gov
(e.g. - Online SMILES Translator).
Igor
On Fri, 2005-11-25 at 11:00, ragubalaji n ragubalaji_._gmail.com wrote:
> Sent to CCL by: "ragubalaji n" [ragubalaji::gmail.com]
> Hi all,
>
> I am looking for tool where SMILES strings can be generated from
structures or connectivity tables. Could anybody tell me where I can find it?
> Thank you very much.
>
> ragu
> Bangalore
> ragubalaji[#]gmail.com>