Dear Evgueni, Sorry for the slow reply; I'm in intermittent email contact until the end of the week.
On Wed, Sep 10, 2008 at 11:38 AM, Evgueni Kolossov <ekolos...@gmail.com> wrote: > > I am trying to use your function to calculate Balaban index J: > > doubel dResult = RDKit::MolOps::computeBalabanJ(*mol, true, true, 0, false) > > and getting linker problems (see enclosed file). Probably need to #include > some files? > > Can you help please? You need to link against the target /RDKit//lapacklibs when you build your executable. Take a look the test executables are built in the Jamfile in $RDBASE/Code/GraphMol. -greg
