On Tue, Mar 24, 2009 at 7:35 AM, Marshall Levesque <[email protected]> wrote: > Greg- > > Thanks again for the quick replies. > > I will try and take a stab at this, but I'm definitely not promising > anything. > > Just to double check, your suggestion to take a look at > /Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp is concerning the > 'EmbedMolecule' function correct? >
Indirectly. That function uses some UFF parameters to do things like get bond-lengths. -greg
