15 Feb
2012
15 Feb
'12
4:38 p.m.
On Wed, Feb 15, 2012 at 8:31 AM, Subhani Bandara
I used qFIT to fix the alternative conformations of my protein with a chelator complex, by submitting a PDB file and a mtz file. But it gave following error. What could be the reason for this.
___Run time error messages (if any):___ xyz.pdb mtz.rfl FP SIGFP Sorry: No matching array: refinement.input.xray_data.labels=FP,SIGFP
This is really a question for Henry van den Bedem (qFit author) - fortunately, he's also on this list. Are you certain you entered the correct data labels? You can view your options by running this command: iotbx.reflection_file_reader data.mtz -Nat