[phenixbb] Hires input file problem

Thomas C. Terwilliger terwilliger at lanl.gov
Thu Oct 11 12:24:38 PDT 2007

Hi Troy,
I'm sorry for this problem!

This sounds like my problem, not yours...but first can you make sure that
you have the most recent version of PHENIX?   If you type


it should say something like;

  Version: 1.3b
  Release tag: rc3

If that is ok (or if it still does this when you use that version), then I
have to fix something.

I tried to make something very similar on my machine:

input_data_file fobs.mtz input_labels 'FP' 'SIGFP' 'PHIM' 'FOMM' 'HLAM'
'HLBM' 'HLCM' 'HLDM' 'FreeR_flag'
 input_pdb_file coords.pdb
 input_seq_file seq.dat
 input_hires_file w1.sca

and this worked fine with the command:

phenix.runWizard AutoBuild test.inp

If all this does not solve the problem, can you possibly send me the input
files and I'll try to duplicate the problem here?

-Tom T

> Hi all,
> I seem to be having a problem specifying the labels for the Hires
> dataset for an Autobuild run.
> Here is my input script:
> input_data_file sharp.mtz
> input_labels 'Fdm' 'SIGFPsha' 'PHIdm' 'FOMdm' 'HLAdm' 'HLBdm' 'HLCdm'
> 'HLDdm' 'FreeR_flag'
> input_pdb_file ab.pdb
> input_seq_file seq.dat
> input_hires_file output.native.sca
> Here is the error from the AutoBuild.log file:
> ************************************************************
> Failed to carry out AutoBuild_datafile_info_inputs:
> 'all_input_hires_labels'
> ************************************************************
> I've tried to use the mtz file from the  ImportRawData_run directory
> and specify the columns by substituting the last line in my input
> script file with:
> input_hires_file output_PHX.mtz
> input_hires_labels 'output.native' 'SIGoutput.native'
> which are the only labels I could find from mtzdump and that doesn't
> work either.  What am I missing here?  Any suggestions would be
> greatly appreciated.
> Thanks,
> Troy
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