INPUT Reading model from /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7s8b_24892/01_2022/7s8b_24892.pdb Reading option "hydrogens=False" from command line Writing effective parameters to 7s8b_24892.eff Preparation for phenix.refine Ligand restraint generation using eLBOW, phenix.elbow Build ligand and use monomer library to name atoms : POV Using monomer library entry POV as template There is a tetra-coordinated nitrogen in your input. You may need to add charge to the nitrogen thus: ATOM 19780 NPOV A 807 110.984 74.432 67.282 1.00 9.14 N+1 Build ligand and use monomer library to name atoms : Y01 Using monomer library entry Y01 as template group index 6 change? False ChiralClass Atom HBD(59) xyz:( 0.394, -0.838, -1.088) Atom CBD(18) xyz:(-0.672, -0.274, -1.633) S ring index: 1 Atom CAK(19) xyz:(-0.174, -0.043, -3.246) ring index: 1 Atom CBF(17) xyz:(-0.640, 1.411, -0.772) S ring index: 1 Atom CBG(12) xyz:(-1.587, -0.799, -1.485) S ring index: 1 not correct chiralisation Difficulties in the ring structures may lead to problems later Attempting to download Chemical Components file for PCW Running eLBOW on PCW.cif MoleculeClass : C:44 N: 1 O: 8 P: 1 (CHEMICAL COMPONENTS format) 138 atoms 137 bonds 262 angles 363 dihedrals 0 rings (groups, rings, atoms) 0 0 1 chirals : R More than 20 percent of the atoms are missing for PCW as compared to the Chemical Components Build ligand and use user provided restraints : PCW Attempting to download Chemical Components file for R2R Running eLBOW on R2R.cif Sorry: eLBOW not suitable for metal clusters unless the --final_geometry option is used.