Hi Liz, totally agree with Paul :). Making a new ligand within coot is not the choice of program to use. I would suggest creating yourself a smiles of you ligand incl. H-atoms and running corina. Or you could even draw your mutated ligand in Isis. Or for the easier have a look at http://www.ysbl.york.ac.uk/mxstat/JLigand/tutorial_comp.html
Cheers Stefan On Thu, 23 Jun 2011 12:55:06 +0530 Elizabeth Varughese <elizabethvj1...@gmail.com> wrote: > hi, > > I have to mutate 6 membered ring structure, with 2 Natoms > and 4 C atoms. > There was no hydrogen atom on the nitrogens. after > necessary mutations i > have add a hydrogen atom on one of these N atoms. But due > to the diff in > bond lengths H is not adding. > So i have to slightly change one of the bond lengths to > make it single bond. > is there any method to do this with altering or breaking > the whole rong > structure. > > Mary > Research Scholar > SPAP > M.G.University > India Dr Stefan Gerhardt Albert-Ludwigs-Universität Freiburg Inst.f.Org.Chem.u.Biochem Albertstrasse 21 79104 Freiburg Tel. +49 761 2035970 Fax. +49 761 2036161
