From: Nina J. <ni...@ac...> - 2008-10-06 17:47:54
|
Egon Willighagen wrote: > On Mon, Oct 6, 2008 at 4:48 PM, Nina Jeliazkova <ni...@ac...> wrote: > >> I would also be interested in finding a solution to the MOE SMARTS >> extensions. Does MOE documentation come only with their products? >> >> With the supporting info the implementation is pretty quick and >> straightforward (here is mine from Friday evening :) >> https://ambit.svn.sourceforge.net/svnroot/ambit/trunk/ambit2-all/ambit2-descriptors/src/main/java/ambit2/descriptors/PKASmartsDescriptor.java >> > > At least I got first post :) > :) > Are your PkaNode use the SMARTSQueryTool too? How did you deal with > https://ambit.svn.sourceforge.net/svnroot/ambit/trunk/ambit2-all/ambit2-descriptors/src/main/java/ambit2/descriptors/PKANode.java > the difficult SMARTS? > Actually it uses Smarts implementation written by my colleague. But nevertheless, difficult smiles are not dealt yet - too much to expect from a quick implementation. I hope it will be possible to rewrite the smarts, given MOE documentation. Regards, Nina > Egon > > > |