Re: [Cdk-devel] Re: CCL:SMILES

[<eg...@sc...>]

Quoting Egon Willighagen <el...@ca...>:

> On Wednesday 12 February 2003 11:56 am, Robert Sbaglia wrote:
> > Thanks for your reply. We've had a quick look at the site, and it looks
> > pretty interesting. We've had a look at the API of the class FileConvertor
> > but it does not seem to support SMILES as an input. 
> 
> Juergen (Cambridge) already requested a SMILES reader about a week ago, and 
> I'll implement one today, as you seem to need it too.

Hi again,

I've written a SMILESReader and commited it to CDK's CVS repository on
SourceForge...
It accept files with one SMILES on each line. I've not yet added it
FileConvertor, so that
class is not yet aware of the new Reader.

kind regards,

Egon Willighagen