INPUT Reading model from /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7s3d_24821/12_2022/7s3d_24821_neut.pdb Reading option "hydrogens=False" from command line Writing effective parameters to 7s3d_24821_neut.eff Ligand restraint generation using eLBOW, phenix.elbow Build ligand and use monomer library to name atoms : LHG Using monomer library entry LHG as template Build ligand and use monomer library to name atoms : LMT Using monomer library entry LMT as template Build ligand and use chemical components : SF4 MoleculeClass : S: 4 Fe: 4 (CHEMICAL COMPONENTS format) 8 atoms 12 bonds 0 angles 0 dihedrals 0 rings 0 chirals Mapped the ligand (SF4) to the monomer library restraints Attempting to download Chemical Components file for F6C Running eLBOW on F6C.cif Residue has metal at the centre of a coordination sphere. Using input geometry to generate restraints. Hydrogens may not be added. Traceback (most recent call last): File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/build/../modules/elbow/elbow/command_line/ready_set.py", line 1108, in run(args) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/build/../modules/elbow/elbow/command_line/ready_set.py", line 882, in run random_seed=working_params.ready_set.run_options.random_seed, File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/build/../modules/elbow/elbow/command_line/ready_set.py", line 266, in run_though_all_the_options None), File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/scripts/elbow_on_pdb_file.py", line 2487, in run hydrogens=hydrogens, File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/scripts/elbow_on_pdb_file.py", line 781, in elbow_on_pdb_file silent=True, File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/command_line/builder.py", line 2384, in run molecule = builder(molecule, options) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/command_line/builder.py", line 932, in builder molecule.Ringise() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/chemistry/RingTopologyMixins.py", line 104, in Ringise self.TransferAtomsToRings() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/chemistry/IOMixins.py", line 4063, in TransferAtomsToRings attr))>0.1: File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/chemistry/xyzClass.py", line 419, in BondLengthSquared return (self - a1)**2 File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/chemistry/xyzClass.py", line 240, in __sub__ return self.lambdaOperation(other, f) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/chemistry/xyzClass.py", line 255, in lambdaOperation return xyzClass((f(self.x,other.x), File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/chemistry/xyzClass.py", line 239, in f = lambda x, y : x - y TypeError: unsupported operand type(s) for -: 'str' and 'str'