Re: [phenixbb] qFit error in fixing alternate conformations

Yes, I was giving wrong data labels and could find the correct one using the command given. Thanks a lot Subhani On Wed, Feb 15, 2012 at 10:38 AM, Nathaniel Echols wrote:

On Wed, Feb 15, 2012 at 8:31 AM, Subhani Bandara wrote:

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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.

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___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