The procedure to re-configure the location/version of CCP4 that will be used by the BUSTER is quite straightforward:

  • This procedure MUST be carried out from the same user account that was used to install the BUSTER AND on the same machine.

  • Having set up the GPhL environment, run the following:

$BDG_home/adm/bin/ccp4-setup

The script will proceed to request you to input the full path to the locations of the new CCP4 installation:

Lets say that we want to change to location of the default CCP4 installation from /software/ccp4-6.2.0 to /software/ccp4-6.3.0.

1. root directory of CCP4 installation (absolute directory
path) :
[/software/ccp4-6.2.0] > /software/ccp4-6.3.0

2. scratch directory for CCP4 programs (absolute directory
path) :
[/tmp/fredbloggs] > <cr>

3. CCP4 directory with X11 subdirectory and font data
(absolute directory path) :
[/software/ccp4-6.2.0/lib] > /software/ccp4-6.3.0/lib

4. CCP4 directory with environ.def and default.def
(absolute directory path) :
[/software/ccp4-6.2.0/include] > /software/ccp4-6.3.0/include

5. CCP4 directory with symop.lib and atomsf.lib (and
maybe syminfo.lib) (absolute directory path) :
[/software/ccp4-6.2.0/lib/data] > /software/ccp4-6.3.0/lib/data

6. CCP4 directory with executables (absolute directory
path) :
[/software/ccp4-6.2.0/bin] > /software/ccp4-6.3.0/bin

7. location of font84.dat file (absolute path including
filename) :
[/software/ccp4-6.2.0/lib/data/ccp4/font84.dat] > /software/ccp4-6.3.0/lib/data/ccp4/font84.dat

8. scratch directory for CCP4 binsort program (absolute
directory path) :
[/tmp/fredbloggs] > <cr>

9. location of the mmcif dictionary file (absolute path
including filename) :
[/software/ccp4-6.2.0/share/ccif/cif_mmdic.lib] > /software/ccp4-6.3.0/share/ccif/cif_mmdic.lib

10. CCP4 directory containing shared libraries (absolute
path) :
[/software/ccp4-6.2.0/lib] > /software/ccp4-6.3.0/lib

You MUST provide input to all 10 of the requested locations.

Alternative method

Again this procedure MUST be carried out from the same user account that was used to install the BUSTER AND on the same machine:

  • The directory $BDG_home/machines/ will contain directories for each host for which the BUSTER has been installed and configured.

    • Each of these subdirectories will contain a file ccp4.setup.

    • Manually edit each of these ccp4.setup files and change the first entry, defining where the root directory of the CCP4 installation is, to point to the new location.

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