Hi Jürgen, Thanks! I didn't think of this. It will be quite easy this way.
regards, harsh On Mon, Aug 11, 2014 at 8:17 PM, Jurgen Bosch <jbos...@jhu.edu> wrote: > you can do this via SMILES and your own script in any flavor and then use > your preferred program afterwards. > Jürgen > > ...................... > Jürgen Bosch > Johns Hopkins University > Bloomberg School of Public Health > Department of Biochemistry & Molecular Biology > Johns Hopkins Malaria Research Institute > 615 North Wolfe Street, W8708 > Baltimore, MD 21205 > Office: +1-410-614-4742 > Lab: +1-410-614-4894 > Fax: +1-410-955-2926 > http://lupo.jhsph.edu > > On Aug 11, 2014, at 10:34 AM, Harshavardhan Khare <harshkh...@gmail.com> > wrote: > > Dear all, > I have a small organic molecule with three functional groups. I also have > another list of functional groups. I want to generate all possible > combinations of the molecule and any of the three functional groups from > the list. > Does anybody know a program that performs this task and writes all the > generated structure coordinates? > > Thanks. > > regards, > harsh > > >
