HI everyone,
ChemAxon (100 Java so relevant to thisi list however it goes :) have a
search implementation here :
http://www.jchem.com/index.html?content=examples.html
You can input structures and perform exact, similarity, substructure
and pharmacophore searching of a few available databases. We are
working to extend the available databases.
Cheers
Alex
--- In ChemistrySoftware@yahoogroups.com, "Armel Le Bail" <alb@c...>
wrote:
> Hi,
>
> > Does someone know of an "open" molecule structure search on the
net ?
>
> Try the COD (Crystallography Open Database) at :
> http://www.crystallography.net/
> However, that very young database contains only ~15000 entries
> instead of the known ~400000... The number of organic and
> organometallic entries is rather small. Up to you to add your
> own atomic coordinates. There is also a growing subset
> of predicted inorganic crystal structures.
>
> Armel Le Bail