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Hi Hailiang,<br>
<br>
<blockquote
cite="mid:48659.128.249.96.12.1283879783.squirrel@webmail.umbc.edu"
type="cite">
<pre wrap="">I tried the following code for PDB 1SX3:
*******************
phenix.tls 1SX3.pdb combine_tls=true
********************
but it ended up with:
***********
======================= TLS groups from PDB file header
=======================
Sorry: Bad TLS selection: start index > end index.
*******************
</pre>
</blockquote>
<br>
yes, the PDB file <br>
<br>
<a class="moz-txt-link-freetext" href="http://www.pdb.org/pdb/files/1SX3.pdb">http://www.pdb.org/pdb/files/1SX3.pdb</a><br>
<br>
has the wrong TLS selection:<br>
<br>
(...)<br>
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<pre style="word-wrap: break-word; white-space: pre-wrap;">REMARK 3 TLS GROUP : 10
REMARK 3 NUMBER OF COMPONENTS GROUP : 4
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : D 561 D 135</pre>
</span>(...)<br>
<br>
I couldn't find any documentation on this matter, but based on my
survey of PDB entries I found that the start_index (561 above)
should be less than end_index (135 above), which is not the case for
this TLS group. <br>
<br>
<blockquote
cite="mid:48659.128.249.96.12.1283879783.squirrel@webmail.umbc.edu"
type="cite">
<pre wrap="">By the way, do I have to specify the selection or phenix.tls will
automatically do it based on PDB header?
</pre>
</blockquote>
<br>
The TLS information is extracted from PDB file header automatically.<br>
<br>
Pavel.<br>
<br>
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