I am refining an unusual complex moiety in a protein xl with neutron data. Does anyone know if it is possible to bypass/deactivate dictionnary .cif check i got the blocking error message "it looks like angle and bond restraints are conflicting." and Phenix.refine stops.
but really it s not conflicting: my .cif file works great in coot to model the complex. it is hydrogen based, so i really need restraints to get it optimal.
any clues welcome, many thanks in advance.
Dr. Maxime Cuypers
Post-Doctoral Research Associate, Structural Biology
St Jude Children s Research Hospital,
262 Danny Thomas Place Memphis, TN 38105-3678, USA