Hello,
I am trying to refine PDB 1YEW using the default phenix settings.
$phenix.refine 1yew.pdb 1yew.mtz
yields:
'''
Sorry: Fatal problems interpreting PDB file:
Number of atoms with unknown nonbonded energy type symbols: 6
Please edit the PDB file to resolve the problems and/or supply a
CIF file with matching restraint definitions, along with
apply_cif_modification and apply_cif_link parameter definitions
if necessary.
'''
$ phenix.ready_set 1YEW_H.pdb
Sorry:
Atoms in the input are supposed to be bound
CU1(CUA) - CU2(CUA) = 2.58
Fix the input file and retry
'''
I assume this means that the Cu atoms in CUA are at an inappropriate distance. Is there an easy way to find out what the appropriate distance is? Can I fix this in coot?
Thanks,
Bradley