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Hi Raja,<br>
<br>
phenix.geometry_minimization model.pdb selection='chain A and resseq
1:123'<br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 7/18/19 09:37, Raja Dey wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAJb73_rvevz0NWRLDD4oUgGncXNTNdaV3n85PbAqP-keO6NWPg@mail.gmail.com">
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<div dir="ltr">Dear Members,
<div>
<div>I like to regularize the geometry of selected residues'
side chains using phenix.pdbtools? I couldn't find the
syntax. I used the following command line syntax, but didn't
work. Can someone help correcting this command?</div>
<div><br>
</div>
<div>phenix.pdbtools myprotein.pdb
geometry-regularization=true selection="((chain A and
((resseq 236:237 not backbone) or (resseq 240:241 not
backbone) or (resseq 244 not backbone) or (resseq 254 not
backbone) or (resseq 258 not backbone) or (resseq 261:262
not backbone) or (resseq 412:413 not backbone) or (resseq
416:417 not backbone) or (resseq 419 not backbone))) or
(chain X and ((resseq 104 not backbone) or (resseq 107:108
not backbone) or (resseq 111 not backbone) or (resseq 113
not backbone))))<br>
</div>
<div><br>
</div>
<div>Best regards,</div>
<div>Raja</div>
</div>
</div>
<br>
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