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: [EMAIL PROTECTED]
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
