Thanks - this actually doing what we need at once Regards, Evgueni
2009/8/12 Greg Landrum <greg.land...@gmail.com> > On Wed, Aug 12, 2009 at 11:54 AM, Evgueni Kolossov<ekolos...@gmail.com> > wrote: > > Greg, > > > > Am I right that the function > > std::vector<boost::shared_ptr<ROMol>> getMolFrags(const ROMol & mol, bool > > sanitizeFrags=true, INT_VECT *frags=0) will return the vector of > fragments > > as ROMol's? > > yes, that is correct. > > -greg > -- Dr. Evgueni Kolossov (PhD) ekolos...@gmail.com Tel. +44(0)1628 627168 Mob. +44(0)7812070446
