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