[phenixbb] HLs not recognised

Nathaniel Echols nechols at lbl.gov
Mon May 12 07:44:14 PDT 2014


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.)

thanks,
Nat


On Mon, May 12, 2014 at 5:49 AM, Jonathan Grimes
<jonathan at strubi.ox.ac.uk>wrote:

>
>   i have now used phenix to read in the mtz file, read all the arrays
>   and make a new mtz file.
>
>   phenix recognised the HLs as Hend/latt coeffs.
>
>   i used the eff file to run phenix.refine at the command line
>   and got this error
>
>   Not a suitable array of experimental phases:
> refinement.input.experimental_phases.labels=HLA,HLB,HLC,HL
>
>    The phases were orginally derived by Phenix using the auto solve GUI.
>
>     Jon
>
>
> Dr. Jonathan M. Grimes,
> NDM Senior Reseach Fellow                               Diamond Research
> Fellow
> University Research Lecturer                              Diamond Light
> Source
> Division of Structural Biology                              Diamond House
> Wellcome Trust Centre for Human Genetics         Harwell Science Campus
> University of Oxford                                            Didcot
> Roosevelt Drive,                                                  OX11 0DE
> Oxford OX3 7BN, UK
>
> Email: Jonathan at strubi.ox.ac.uk, Web: www.strubi.ox.ac.uk
> Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547
>
>
>
> ---- Original message ----
> >Date: Mon, 12 May 2014 11:32:39 +0100
> >From: phenixbb-bounces at phenix-online.org (on behalf of Jonathan Grimes <
> jonathan at strubi.ox.ac.uk>)
> >Subject: [phenixbb] HLs not recognised
> >To: phenixbb at phenix-online.org
> >
> >
> >  I am trying to refine a structure at low resolution and would like to
> >  use phase restraints.  using the GUI even though HLs are present
> >  in the MTZ file, and are type “A”…checked with CAD…..i am not given
> >  the option of selecting them.
> >
> >  not clear to me what I’m doing wrong.
> >
> >  hints most wellcome
> >  thanks
> >  jon
> >
> >
> >Dr. Jonathan M. Grimes,
> >NDM Senior Reseach Fellow
> >University Research Lecturer
> >DIAMOND Research Fellow
> >
> >Division of Structural Biology
> >Wellcome Trust Centre for Human Genetics
> >University of Oxford
> >Roosevelt Drive,
> >Oxford OX3 7BN, UK
> >
> >Email: Jonathan at strubi.ox.ac.uk, Web: www.strubi.ox.ac.uk
> >Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547
> >
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