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Hi Maxime,<br>
<br>
could you please send us PDB file so that we investigate and start
from there?<br>
<br>
Alternatively, you can create your own cif file for the ligand in
question and provide it to refinement, then it will be used instead
of the default one.<br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 2/2/18 07:36, Maxime Cuypers wrote:<br>
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<div>Hello All,<br>
<br>
I am refining an unusual complex moiety in a protein xl
with neutron data.<br>
Does anyone know if it is possible to bypass/deactivate
dictionnary .cif check<br>
i got the blocking error message "it looks like angle and
bond restraints are conflicting." and Phenix.refine stops.<br>
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but really it s not conflicting: my .cif file works great in
coot to model the complex. it is hydrogen based, so i really
need restraints to get it optimal.<br>
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any clues welcome, many thanks in advance.<br>
<br>
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<div>Dr. Maxime Cuypers<br>
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<div><span><span>Post-Doctoral
Research Associate, </span>Structural
Biology</span><br>
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<div>St Jude Children s
Research Hospital,<br>
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<div><span>262 Danny Thomas
Place<br>
</span><span>Memphis, TN
38105-3678, USA</span><br>
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