Hi Noel, Sorry for the very slow posting of your message and reply; I was on vacation until yesterday and needed to approve your posting since you aren't subscribed to the discuss list; that shouldn't be a problem from now on.
On 8/27/07, Noel O'Boyle <baoille...@gmail.com> wrote: > Any chance of more info on what RDkit contains? E.g. an API, or a > website. Although Open Source projects are infamous for incomplete > documentation, you seem to have taken this to an extreme :-) ah hah! that's where you're wrong! :-) We actually do have have some documentation, we just don't have any obvious links to it from sourceforge. This is an oversight on my part and something I will clear up. There are some useful links here: http://www.rdkit.org/ specifically to the overview PDF: http://www.rdkit.org/RDKit_Overview.pdf and some (automatically generated and somewhat out of date) API documentation: http://www.rdkit.org/C++_Docs There's also an introduction to using the code from Python on sourceforge that provides something of an overview of the functionality: http://downloads.sourceforge.net/rdkit/GettingStartedInPython.pdf > I'm involved in other open source cheminformatics packages (via the > BlueObelisk, with varying degrees of documentation it must be > admitted) so it would be good to know to what extent there is overlap, > and whether we could share code, etc... My last look at blue obelisk was, admittedly, a while ago, but I somehow got the impression at the time that it was pretty Java-centric. Is this true? Regards, -greg
