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List:       relax-users
Subject:    Re: "The unnumbered spin name 'H' already exists."
From:       "Edward d'Auvergne" <edward () nmr-relax ! com>
Date:       2013-01-31 17:21:10
Message-ID: CAED9pY-zGM0zUueCY7zbuQu=qcRmQAgw+tQOqxUm45Yh891t9A () mail ! gmail ! com
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Hi,

That's a strange one!  I'll have to look at it tomorrow as I'm currently
waiting to board a plane at Lyon airport.

Cheers,

Edward

On Thursday, 31 January 2013, Martin Ballaschk wrote:

> Hi Edward,
>
> I have a strange problem (relax 2.1.2 @ Mac/Linux):
>
> * create a data pipe inside relax (pipe.create)
> * get 1OGT.pdb and load by
>   > structure.read_pdb('./1OGT.pdb', read_mol=1)
> * load amide nitrogens:
>   > structure.load_spins(spin_id='@N', ave_pos=True)
> * attach protons
>   > sequence.attach_protons()
>
> Now I get a very strange error message:
> "RelaxError: The unnumbered spin name 'H' already exists."
>
> But I didn't load a single proton before and there also is none in the PDB
> file?
>
> What do you think, what is going on?
>
> Kind Regards,
> Martin
> _______________________________________________
> relax (http://www.nmr-relax.com)
>
> This is the relax-users mailing list
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[Attachment #5 (text/html)]

Hi,<div><br></div><div>That&#39;s a strange one!  <span></span>I&#39;ll have to look \
at it tomorrow as I&#39;m currently waiting to board a plane at Lyon \
airport.</div><div><br></div><div>Cheers,</div><div><br></div><div>Edward</div> \
<div><br>On Thursday, 31 January 2013, Martin Ballaschk  wrote:<br><blockquote \
class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc \
solid;padding-left:1ex">Hi Edward,<br> <br>
I have a strange problem (relax 2.1.2 @ Mac/Linux):<br>
<br>
* create a data pipe inside relax (pipe.create)<br>
* get 1OGT.pdb and load by<br>
  &gt; structure.read_pdb(&#39;./1OGT.pdb&#39;, read_mol=1)<br>
* load amide nitrogens:<br>
  &gt; structure.load_spins(spin_id=&#39;@N&#39;, ave_pos=True)<br>
* attach protons<br>
  &gt; sequence.attach_protons()<br>
<br>
Now I get a very strange error message:<br>
&quot;RelaxError: The unnumbered spin name &#39;H&#39; already exists.&quot;<br>
<br>
But I didn&#39;t load a single proton before and there also is none in the PDB \
file?<br> <br>
What do you think, what is going on?<br>
<br>
Kind Regards,<br>
Martin<br>
_______________________________________________<br>
relax (<a href="http://www.nmr-relax.com" \
target="_blank">http://www.nmr-relax.com</a>)<br> <br>
This is the relax-users mailing list<br>
<a href="javascript:;" onclick="_e(event, &#39;cvml&#39;, \
&#39;relax-users@gna.org&#39;)">relax-users@gna.org</a><br> <br>
To unsubscribe from this list, get a password<br>
reminder, or change your subscription options,<br>
visit the list information page at<br>
<a href="https://mail.gna.org/listinfo/relax-users" \
target="_blank">https://mail.gna.org/listinfo/relax-users</a><br> </blockquote></div>



_______________________________________________
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