[Rdkit-devel] "minimal" version of the RDKit

[Greg L. <gre...@gm...>]

Dear all,

In connection with the MolCore project (still in the larval stage:
http://sourceforge.net/apps/trac/molcore/) I've put together a branch
of the RDKit that includes only the most basic molecular functionality
(reading and writing from smiles and SDF, substructure searching,
reactions): http://rdkit.svn.sourceforge.net/viewvc/rdkit/branches/minimal_1Aug2009/

One potentially interesting thing about this branch to the rest of you
is that it is built using cmake instead of bjam. Build instructions
are in the INSTALL file.

Getting cmake working turned out to be relatively straightforward,
particularly now that boost supports it, and it's much easier to get
started with than bjam. I will at some point (in October) port the
trunk of the RDKit over to cmake as well (if anyone else wants to try
doing this: I think it should be pretty easy based on what's in the
minimal branch).

-greg