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Re: [ccp4bb] cannot read .mtz in ccp4i |
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CCP4bb navigationCCP4bb <-- 2008 <-- February 2008 <-- 02 February 2008Subject: Re: cannot read .mtz in ccp4i From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE Date: 2008-02-02 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 > CCP4bb navigationCCP4bb <-- 2008 <-- February 2008 <-- 02 February 2008 |
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