Hi Bradley, it's a bug due to insufficient amount of tests exercising this tool. I'm working on the fix. The second bug here is that when you run phenix.fetch_pdb --mtz 1eao it outputs Model saved to /net/chevy/raid1/afonine/work/tmp/1eao.pdb Sequence saved to /net/chevy/raid1/afonine/work/tmp/1eao.fa Structure factors saved to /net/chevy/raid1/afonine/work/tmp/1eao-sf.cif while the actual output is 1eao.fa 1eao.mtz 1eao.pdb Meanwhile type phenix.model_vs_data 1eao.{pdb,mtz} comprehensive=true which will give you CC(2mFo-DFc, Fc) per atom or per residue (depending on resolution). Pavel On 8/20/12 11:42 AM, Bradley Hintze wrote:
Hey Phenix team,
I am trying to get real space correlation measurements for 1eao and ran into a problem.
$ phenix.fetch_pdb --mtz 1eao $ phenix.real_space_correlation 1eao.pdb 1eao.mtz
Multiple equally suitable arrays of observed xray data found.
Possible choices: 1eao.mtz:FOBS,SIGFOBS 1eao.mtz:F(+),SIGF(+),F(-),SIGF(-)
Please use .labels to specify an unambiguous substring of the target label.
Looking in the options for phenix.real_space_correlation it is unclear how to specify the labels for the reflection file. Any assistance on this would greatly be appreciated.
Thanks, Bradley
-- Bradley J. Hintze Duke University PhD Candidate Department of Biochemistry
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