Hi, I'm facing an extremely annoying 'problem' when refining structures with ligands. When I try to refine a structure with a ligand inserted in coot from what I believe is refmac dictionary I'm getting following error: Number of atoms with unknown nonbonded energy type symbols: 13 "HETATM 3279 OG2 FLC B 1 .*. O " "HETATM 3280 CGC FLC B 1 .*. C " "HETATM 3281 OG1 FLC B 1 .*. O " "HETATM 3282 CG FLC B 1 .*. C " "HETATM 3283 CB FLC B 1 .*. C " "HETATM 3284 OHB FLC B 1 .*. O " "HETATM 3285 CBC FLC B 1 .*. C " "HETATM 3286 OB2 FLC B 1 .*. O " "HETATM 3287 OB1 FLC B 1 .*. O " "HETATM 3288 CA FLC B 1 .*. C " ... (remaining 3 not shown) When FLC (citrate anion) is exported via libcheck and cif file is generated with phenix.elbow everything works fine. Why is the phenix.refine not compatible with the refmac dictionary definitions? Or maybe I am doing something wrong? Cheers, Andrzej -- [email protected] e-mail