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

[Clemens Vonrhein]

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

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