Re: [ccp4bb] cannot read .mtz in ccp4i

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From: Andreas_Förster docandreas {- at -} GMAIL {- dot -} COM
Date: 2008-02-02

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Subject: Re: cannot read .mtz in ccp4i
From: "Winn, MD (Martyn)" m {- dot -} d {- dot -} winn {- at -} DL {- dot -} AC {- dot -} UK
Date: 2008-02-02

Yes, it might be the old quotes problem.
Later versions of ccp4i add in quotes around the filenames (to deal with
WIndows paths with spaces) and later versions of Phaser interpret quoted
arguments correctly. But a new gui with an old phaser will cause problems.

Martyn

-----Original Message-----
From: CCP4 bulletin board on behalf of Tim Gruene
Sent: Sat 2/2/2008 3:59 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] cannot read .mtz in ccp4i

Is it possible that you have phenix (or some old version of phenix)
installed and that the PATH variable from the CCP4i gui finds that phenix
first?

Check if ccp4_first_in_path is set to 1 in your $CCP4/include/ccp4.setup
script.

Tim

--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A

On Fri, 1 Feb 2008, C.Ainsley Davis wrote:

> 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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Previous message:
Subject: Re: Codon Optimized Expression
From: Andreas_Förster docandreas {- at -} GMAIL {- dot -} COM
Date: 2008-02-02

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Subject: Re: Codon Optimized Expression
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Date: 2008-02-02