Hey together, first cudos to Paul&Kevin for the incredible speed that coot gets more and more useable as an allround building tool -thanks! I've had a 'problem' several times now with coot and proteins containing metal clusters. Is there a way to make the real space refinement aware of the existence of atoms not included in the actual refinement? Like for example in MAIN where you can define 'active' the atoms to be refined and 'passive' the atoms to be included in the energy calculation? The problem is that everything close to metalclusters gets rfined into the cluster density and tere is no way including the ligand in the refinement as the selection requires consecutively numbered AAs.
Thanks, Jens
