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<div class="moz-cite-prefix">Hi Bradley,<br>
<br>
it's a bug due to insufficient amount of tests exercising this
tool. I'm working on the fix. <br>
The second bug here is that when you run<br>
<br>
phenix.fetch_pdb --mtz 1eao<br>
<br>
it outputs<br>
<br>
Model saved to /net/chevy/raid1/afonine/work/tmp/1eao.pdb<br>
Sequence saved to /net/chevy/raid1/afonine/work/tmp/1eao.fa<br>
Structure factors saved to
/net/chevy/raid1/afonine/work/tmp/1eao-sf.cif<br>
<br>
while the actual output is <br>
<br>
1eao.fa<br>
1eao.mtz<br>
1eao.pdb<br>
<br>
Meanwhile type <br>
<br>
phenix.model_vs_data 1eao.{pdb,mtz} comprehensive=true<br>
<br>
which will give you CC(2mFo-DFc, Fc) per atom or per residue
(depending on resolution).<br>
<br>
Pavel<br>
<br>
<br>
On 8/20/12 11:42 AM, Bradley Hintze wrote:<br>
</div>
<blockquote
cite="mid:CAHRy+cyUt5P-UQvXBJ=+gEObGZH0t6pKCR4Duom3ac4zwqq9WQ@mail.gmail.com"
type="cite">Hey Phenix team,
<div><br>
</div>
<div>I am trying to get real space correlation measurements for
1eao and ran into a problem.</div>
<div><br>
</div>
<div>$ phenix.fetch_pdb --mtz 1eao</div>
<div>$ phenix.real_space_correlation 1eao.pdb 1eao.mtz</div>
<div>
<div><br>
</div>
<div>Multiple equally suitable arrays of observed xray data
found.</div>
<div><br>
</div>
<div>Possible choices:</div>
<div> 1eao.mtz:FOBS,SIGFOBS</div>
<div> 1eao.mtz:F(+),SIGF(+),F(-),SIGF(-)</div>
<div>
<br>
</div>
<div>Please use .labels</div>
<div>to specify an unambiguous substring of the target label.</div>
<div><br>
</div>
<div><br>
</div>
<div>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.</div>
<div><br>
</div>
<div>Thanks,</div>
<div>Bradley</div>
<div><br>
</div>
-- <br>
<div>Bradley J. Hintze</div>
<div>Duke University</div>
<div>PhD Candidate</div>
<div>Department of Biochemistry</div>
<div><br>
</div>
<div>Please help me raise money for my ride to assist children
with disabilities!</div>
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