It should be straight forward. A good example you can use is to make an alternate conformation of a residue in coot. Then you can follow the generated pdb to modify your ligand. Are you sure refmac won't run? What is the error message from refmac?
Nian Huang, Ph.D. Dept. of Biochemistry UT Southwestern Medical Center On Mon, Jun 9, 2008 at 5:21 PM, Matthew Chu <[EMAIL PROTECTED]> wrote: > Dear All, > > Can anyone teach me how to refine a ligand in a protein structure with half > occupancy in refmac? > I have tried to combine the coordinates of the two different conformations > of that particular ligand in one pdb, after modeling in Coot individually, > and then changed the occupancy to 0.5 for each of the conformation. However, > I couldn't manage to refine this pdb in Refmac. > Thanks in advance! > > Best regards, > Matt > > > ---------------------------------------------------------------------------- > Matthew LH Chu > PhD Student > School of Pharmacy and Pharmaceutical Sciences > University of Manchester > ---------------------------------------------------------------------------- >
