Dear ccp4bb and Paul emsley, I have a problem in coot, I could clearly see the density for some small molecule that was present in the sample buffer. when I generate .cif from monomer sketch library from ccp4 and use same .cif in coot for real space refinement, the small molecule goes back and sit into the nearby protein density rather than to stay in the speculated density for that molecule.
i can very well regularize the zone but could not do any real space refinement of that small molecule. What might be the problem? thanks in advance. -- S.Jayashankar Research Student Institute for Biophysical Chemistry Hannover Medical School Germany
