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<p>Cedric,</p>
<p>normally PDB or mmCIF file that came out of refinement and is
subject to PDB deposition should not be modified in any way. I
hope this is an obvious statement that does not need any further
elaboration!</p>
<p>Answering your question: yes, you can update all the statistics
and file header without doing any refinement:</p>
<p>phenix.refine model.pdb data.mtz strategy=none
main.number_of_macro_cycles=1</p>
<p>Pavel<br>
</p>
<br>
<div class="moz-cite-prefix">On 6/22/16 08:28, cedric bauvois wrote:<br>
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<div>Dear all,<br>
<br>
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At the end of model-building, several modifications are often
required for submission (remove some water molecules, deal
with unusual bad bond, ...). After doing so, is there any way
in phenix to generate a new pdb file containing updated
informations (r_factors, bonds, angles, model content,...) ?<br>
<br>
</div>
Thanks a lot<br>
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<div>Cedric</div>
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