Hi Adriana, when I am at home, I do the following. Use zinc structure search ( http://zinc.docking.org/search/structure) to generate a smiles code (or any other website that can do this), then take that code to phenix elbow and generate the ligand including cif. Other softwares that can do this off the top of my head are chemoffice and schrödinger.
I hope this helps, Cheers, Johannes 2017-03-29 14:36 GMT+02:00 Adriana Sene <adrianasen...@gmail.com>: > Hi > I am new here, I am looking for some way to modify one of my ligand. I > have some cl atoms in the ligand which I wanted to remove and add other > functional groups. If some one can tell me, how it can be done or which > tools either free or paid can be used to do that. > > bet > > Adiana >
