Hello all,
We (SciTouch LLC) recently published our cheminformatics
toolkit called Indigo. It consists of five software products:
Bingo: Cartridge for Oracle database supporting a wide range of searches in
molecule and reaction databases.
Dingo: Molecule and reaction rendering library with cairo
Dear Egon,
Thank you for your response.
> Can you say some words on the data model you are using? Does it
> support only molecules, or also protein structures (PDB files)? Is it
> based on a simple chemical graph, or doing something more Dietz like?
Sorry, I do not know what Dietz model is.
Our
Hello all,
Sorry for barging in.
> CanonicalSMILES is a major problem (if it wasn't then I suspect InChI
> would not have been developed). The paper describing the
> canonicalisation is seriously different from the implementation in the
> program. Many of us (including me several times) have a
Hello all,
A few months ago, Indigo cheminformatics toolkit from SciTouch
was announced here. In case anybody is interested in Dingo
(rendering library in this toolkit), here is a good news:
Java wrapper for Dingo has become available. Please see
the details here:
http://groups.google.com/group/i
