[phenixbb] how to easily find old subjects

[Tatyana Sysoeva]

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All the best,

Tanya

On Wed, Sep 9, 2009 at 3:22 PM, Maia Cherney <chern at ualberta.ca> wrote:

> Hi,
>
> I am trying to find the answer to a question that was discussed long
> time ago at this forum, but there is no mechanism to find old discussions.
>
> You have to go through each month and figure out from the subjects where
> was a particular discussion.
>
> Could you, the phenix team, make it easier to find answers to those
> questions that had been answered previously.
>
> I remember, there was a question how to generate maps without
> refinement. I finished the refinement, but I need a map (in explor
> format) to show the 2fo-fc density in the publication.
>
> Maia
>
>
>
>
>
> Pavel Afonine wrote:
> > Hi Tirumala,
> >
> > I agree, you are not the first who confused by this and an example right
> > in the message would help.
> >
> > First, your MTZ file contains the following data:  (FP,SIGFP) and
> > (Fav,SIGFav) and it is your choice to select the one that you want to
> > use in refinement.
> >
> > Second, once decided on the data - for example it is FP, then just add
> > to your command line this:
> >
> > refinement.input.xray_data.labels=FP
> >
> > or, which is the same
> >
> > xray_data.labels="FP,SIGFP"
> >
> > Pavel.
> >
> >
> >
> > On 9/9/09 11:10 AM, Tirumala Kumar Chowdary wrote:
> >
> >> Hi,
> >>
> >> I am trying to run phenix.refine with a sharp output MTZ file (column
> >> labels  H K L NUMORB FB PHIB FOM HX HY FH PHIH FP SIGFP HLA HLB HLC HLD
> >> HL0 Fcent PHIcent FOMcent Fmap PHImap FHref PHIHref Fav SIGFav).
> >>
> >> Phenix.refine stopped at
> >>
> >> 'Multiple equally suitable arrays of observed xray data found.
> >>
> >> Possible choices:
> >>   sharp_sad_se_eden.mtz:FP,SIGFP
> >>   sharp_sad_se_eden.mtz:Fav,SIGFav
> >>
> >> Please use refinement.input.xray_data.labels'
> >>
> >> Can someone tell me on how to use this
> >> 'refinement.input.xray_data.labels' and how to specify which column
> >> labels to use. There is nothing written in the documentation about it.
> >>
> >> Thanks
> >> Tirumal
> >>
> >>
> >>
> >>
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> >>
> >>
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> >
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> >
>
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