[sharp-discuss] autosharp not reading column headers in mtz files

Phil Evans pre at mrc-lmb.cam.ac.uk
Fri Aug 17 13:48:30 CEST 2012


Thanks for the info/reminder

In that case I'm baffled about how I got it to fail yesterday. Red herrings!
Phil

On 17 Aug 2012, at 12:24, Clemens Vonrhein wrote:

> Hi Phil,
> 
> On Fri, Aug 17, 2012 at 10:59:38AM +0100, Phil Evans wrote:
>> The problem is I can't now reproduce the problem and I deleted all my files from yesterday in a clean-up exercise this morning (including the .mtzlog files, unfortunately)
>> 
>> - I can't see any significant difference between the output from different versions of mtzdump, apart from the version number
>> 
>> - when I run autoSharp now, the mtzlog file refers to mtzdump version 6.1 which must be an old version, but I don't know how Sharp decides which CCP4 version to use
> 
> Yes - remember (because you run through a httpd - which doesn't have
> an 'enviroment' lik you as a user have) that those are defined in
> 
>  /where/ever/sharp/machines/*/ccp4.setup
> 
> The easiest is to edit those file(s) by hand and adapt to you new CCP4
> version/installation.
> 
> But be aware: the location of some files have changed
> 
>  pre-6.3.0                   6.3.0
> -------------------------------------------------------------
>  $CCP4/lib/font84.dat        $CCP4/lib/data/ccp4/font84.dat
>  $CCP4/lib/cif_mmdic.lib     $CCP4/share/ccif/cif_mmdic.lib
> 
> Cheers
> 
> Clemens
> 
> -- 
> 
> ***************************************************************
> * Clemens Vonrhein, Ph.D.     vonrhein AT GlobalPhasing DOT com
> *
> *  Global Phasing Ltd.
> *  Sheraton House, Castle Park 
> *  Cambridge CB3 0AX, UK
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