Hi Subhani,
Yes, it looks like a case where the data labels are incorrect. If you follow Nat's suggestion, you get a list of options. Contact me directly if you still can't get it to work.
Thanks, Nat!
Henry
-----Original Message-----
From: [email protected] [mailto:[email protected]] On Behalf Of Nathaniel Echols
Sent: Wednesday, February 15, 2012 8:38 AM
To: PHENIX user mailing list
Subject: Re: [phenixbb] qFit error in fixing alternate conformations
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 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb