<div dir="ltr">This is a little strange - the GUI should not be allowing you to select an array that won't work for refinement. Could you please send me (off-list!) both MTZ files that you tried using? (I don't think I need data or anything else for this.)<div>
<br></div><div>thanks,</div><div>Nat</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Mon, May 12, 2014 at 5:49 AM, Jonathan Grimes <span dir="ltr"><<a href="mailto:jonathan@strubi.ox.ac.uk" target="_blank">jonathan@strubi.ox.ac.uk</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><br>
i have now used phenix to read in the mtz file, read all the arrays<br>
and make a new mtz file.<br>
<br>
phenix recognised the HLs as Hend/latt coeffs.<br>
<br>
i used the eff file to run phenix.refine at the command line<br>
and got this error<br>
<br>
Not a suitable array of experimental phases: refinement.input.experimental_phases.labels=HLA,HLB,HLC,HL<br>
<br>
The phases were orginally derived by Phenix using the auto solve GUI.<br>
<div class=""><br>
Jon<br>
<br>
<br>
Dr. Jonathan M. Grimes,<br>
</div>NDM Senior Reseach Fellow Diamond Research Fellow<br>
University Research Lecturer Diamond Light Source<br>
Division of Structural Biology Diamond House<br>
Wellcome Trust Centre for Human Genetics Harwell Science Campus<br>
University of Oxford Didcot<br>
Roosevelt Drive, OX11 0DE<br>
<div class="im HOEnZb">Oxford OX3 7BN, UK<br>
<br>
Email: <a href="mailto:Jonathan@strubi.ox.ac.uk">Jonathan@strubi.ox.ac.uk</a>, Web: <a href="http://www.strubi.ox.ac.uk" target="_blank">www.strubi.ox.ac.uk</a><br>
Tel: <a href="tel:%28%2B44%29%20-%201865%20-%20287561" value="+441865287561">(+44) - 1865 - 287561</a>, FAX: <a href="tel:%28%2B44%29%20-%201865%20-%20287547" value="+441865287547">(+44) - 1865 - 287547</a><br>
<br>
<br>
<br>
</div><div class="HOEnZb"><div class="h5">---- Original message ----<br>
>Date: Mon, 12 May 2014 11:32:39 +0100<br>
>From: <a href="mailto:phenixbb-bounces@phenix-online.org">phenixbb-bounces@phenix-online.org</a> (on behalf of Jonathan Grimes <<a href="mailto:jonathan@strubi.ox.ac.uk">jonathan@strubi.ox.ac.uk</a>>)<br>
>Subject: [phenixbb] HLs not recognised<br>
>To: <a href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a><br>
><br>
><br>
> I am trying to refine a structure at low resolution and would like to<br>
> use phase restraints. using the GUI even though HLs are present<br>
> in the MTZ file, and are type “A”…checked with CAD…..i am not given<br>
> the option of selecting them.<br>
><br>
> not clear to me what I’m doing wrong.<br>
><br>
> hints most wellcome<br>
> thanks<br>
> jon<br>
><br>
><br>
>Dr. Jonathan M. Grimes,<br>
>NDM Senior Reseach Fellow<br>
>University Research Lecturer<br>
>DIAMOND Research Fellow<br>
><br>
>Division of Structural Biology<br>
>Wellcome Trust Centre for Human Genetics<br>
>University of Oxford<br>
>Roosevelt Drive,<br>
>Oxford OX3 7BN, UK<br>
><br>
>Email: <a href="mailto:Jonathan@strubi.ox.ac.uk">Jonathan@strubi.ox.ac.uk</a>, Web: <a href="http://www.strubi.ox.ac.uk" target="_blank">www.strubi.ox.ac.uk</a><br>
>Tel: <a href="tel:%28%2B44%29%20-%201865%20-%20287561" value="+441865287561">(+44) - 1865 - 287561</a>, FAX: <a href="tel:%28%2B44%29%20-%201865%20-%20287547" value="+441865287547">(+44) - 1865 - 287547</a><br>
><br>
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</div></div></blockquote></div><br></div>