Dear all, Making sure that the individual sites refinement was switched on (i.e. the tick box checked in the Refinement settings window) solved the problem. A slightly embarrassing error on my part I am afraid. The new GUI is taking a little while to get used to - but I am really appreciating the many new features! With regards, Tony. On 6 Oct 2009, at 12:50, Schubert, Carsten [PRDUS] wrote:
Tony,
are things exploding right out of phenix when viewed in another program or when you do a real-space refinement in let's say coot? A likely culprit is probably a mismatch between the monomer definitions and your atom names. Try to narrow it down to the residues/ligands which are exploding, some of them looked OK in your picture, may be you have a non-standard aminoacid present? Then check the atom names and residue names against the monomer definitions. The monomer file location can be queried with phenix.where_mon_lib_list_cif.
Cheers,
Carsten
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