All, a client of us is looking for a tool to perform compound library enumerations by defining the building blocks and some general reaction schemes. The client has access to Pipeline Pilot in which this kind of stuff can be done, but for the particular project in mind it would be very convenient if this could be done using the Open Babel C++ API since it would make integration with other technologies easier.
Therefore, does anyone know whether library enumeration using user- definable reaction schemes can be done with the OB C++ API, and if so, are there any drawbacks and stability problems to be taken care of? Many thanks in advance, Hans --- Silicos NV www.silicos.com ------------------------------------------------------------------------------ The Palm PDK Hot Apps Program offers developers who use the Plug-In Development Kit to bring their C/C++ apps to Palm for a share of $1 Million in cash or HP Products. Visit us here for more details: http://p.sf.net/sfu/dev2dev-palm _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss