Hi everyone,

I need to input a parameter file describing the bond lengths of a metal chelator complex in my protein. I used a text file containing the commands with .params extension. when I add this file in GUI inputs in refinement, it gives a message "Phenix did not recognize the file type".  What is the file type I should use?

The file contained commands similar to the following with my metal and ligand atom names.

refinement.geometry_restraints.edits {
  zn_selection = chain X and resname ZN and resid 200 and name ZN
  his117_selection = chain X and resname HIS and resid 117 and name NE2
  asp130_selection = chain X and resname ASP and resid 130 and name OD1
  bond {
    action = *add
    atom_selection_1 = $zn_selection
    atom_selection_2 = $his117_selection
    symmetry_operation = None
    distance_ideal = 2.1
    sigma = 0.02
    slack = None
  }
  bond {
    action = *add
    atom_selection_1 = $zn_selection
    atom_selection_2 = $asp130_selection
    symmetry_operation = None
    distance_ideal = 2.1
    sigma = 0.02
    slack = None
  }
 
}

Then I used command line to run "phenix.refine model.pdb data.mtz elbow.cif restraints_edits.params" it again gave error saying .params is an unknown file type.

Am I doing anything wrong and is there any other way to fix the distances of the metal chelator complex.


Thanks
Subhani