Re: [ccp4bb] cannot read .mtz in ccp4i

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Subject: cannot read .mtz in ccp4i
From: "C {- dot -} Ainsley Davis" mitgator {- at -} MIT {- dot -} EDU
Date: 2008-02-01

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From: "David J {- dot -} Schuller" djs63 {- at -} CORNELL {- dot -} EDU
Date: 2008-02-01

Subject: Re: cannot read .mtz in ccp4i
From: "C {- dot -} Ainsley Davis" mitgator {- at -} MIT {- dot -} EDU
Date: 2008-02-01

Jon,

Yeah, I downloaded one of the atlas files (I think one of the version 2
ones) which got the ccp4 gui to work in the first place. I can run
mtzdmp with no problems (it runs normally). I am not sure what refmacrom
is. I mentioned that using the same exact .mtz and running refmac from
the gui has no issues at all. I have only run into this bugaboo with
PHASER so far.

Thanks!

Jon Marles-Wright wrote:
> If you try running mtzdump fand refmacrom the command line do you get any output? There's an issue with the libatlas on ubuntu that prevents it running sometimes. You need the version 2 or 3 of atlas that you can find on the web to get everything working properly I think. You can just type in the name of the missing libraries into google and download .deb files for them and all should be well.
>
> Jon.
>
> --
> Dr Jon Marles-Wright
> Institute for Cell and Molecular Biosciences
> Faculty of Medical Sciences
> Newcastle University
> Newcastle-upon-Tyne
> NE2 4HH
>
> email: Jon.Marles-Wright@ncl.ac.uk
> Tel: +44(0)191 222 7436
> Fax: +44(0)191 222 7424
>
>
>
> -----Original Message-----
> From: CCP4 bulletin board on behalf of C.Ainsley Davis
> Sent: Fri 01/02/2008 21:06
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: [ccp4bb] cannot read .mtz in ccp4i
>
> Hello all
>
> I've recently redone a computer system using Ubuntu Gutsy Gibbon as the
> OS. We've had success using Feisty Fawn in the past and using the ccp4i
> suite downloaded from wgscott's page (the debian files used in ubuntu).
> For whatever reason we cannot use PHASER in the ccp4i suite. The error
> we continuously get is "cannot read .mtz file" FAILURE..etc.
>
> If i use a small script file (for example phaser.sh or phaser.com) with
> the following lines
> phaser << eof
>
> MODE MR_AUTO
> HKLIN "./p3.mtz"
> LABIN F=F_1 SIGF=SIGF_1
> TITLE MR_01
> COMPOSITION PROTEIN MW 13000 NUMBER 1
> SGALTERNATIVE ALL
> TOPFILES 5
> ENSEMBLE ensemble1 &
> PDBFILE "x.pdb" &
> IDENT 40.0
> SEARCH ENSEMBLE ensemble1 &
> NUMBER 2
>
> RESOLUTION 4.0 30.0
>
>
> ROOT p3
>
> end
>
> and it works, but the ccp4i GUI cannot read it in PHASER. It works for
> REFMAC when doing refinements.
>
> what the heck!
>
> thanks all
>
> Ainsley Davis
>
>
>

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CCP4bb <-- 2008 <-- February 2008 <-- 01 February 2008

Previous message:
Subject: cannot read .mtz in ccp4i
From: "C {- dot -} Ainsley Davis" mitgator {- at -} MIT {- dot -} EDU
Date: 2008-02-01

Next message:
Subject: Python 3.0 breakage
From: "David J {- dot -} Schuller" djs63 {- at -} CORNELL {- dot -} EDU
Date: 2008-02-01