UPDATE: the issues described here have been resolved in newer versions of our software. Please do not run old and unsupported software, but ensure to update to the latest version.

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Content:

• When BUSTER is also installed
• ARP/wARP 7.3 bug
• ARP/wARP 7.5 changes
• CCP4 6.4.0
• PUBLIC_FONT84/font.dat
• xplot84driver

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When BUSTER is also installed

If you also have an installation of BUSTER, a few points are important to remember with regard the setup.sh and setup.csh files created during the SHARP/autoSHARP installation:

• a user should not need to 'source' those files by default - unless he/she wants to use autoSHARP through the CCP4i interface.

• in that case a user only needs to set the SHARP_home environmental variable to point to the location of the SHARP/autoSHARP installation before starting CCP4i:

          % setenv SHARP_home /where/ever/SHARP                   # for tcsh/csh
            -- or --
          % export SHARP_home=/where/ever/SHARP                   # for bash/zsh/ksh/sh

• those setup.sh/setup.csh files are needed when doing administrative tasks (like creating additional users for the SHARP httpd-interface etc)

• if required, the BUSTER setup.sh/setup.csh file should be 'sourced' after the SHARP/autoSHARP one:

• for tcsh/csh:

          source /where/ever/SHARP/setup.csh
          source /where/ever/BUSTER/setup.csh

• for bash/zsh/ksh/sh:

          . /where/ever/SHARP/setup.sh
          . /where/ever/BUSTER/setup.sh

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ARP/wARP 7.3 bug

ARP/wARP 7.3 - when installed as part of a CCP4 6.3.0 download - has a problem when used from SHARP/autoSHARP (where we do want to use phased refinement during model building using Hendrickson-Lattman coefficients). You will get an error in the automatic model building part

ERROR   : unable to extract statistics

The file arp_warp_7.3/share/auto_tracing.sh needs to be modified from

if ( "$arguments[$index_phaselabin]" && $arguments[$index_twin] ) then

to

if ( "$arguments[$index_phaselabin]" != '' && $arguments[$index_twin] ) then

See also the discussion on sharp-discuss and the ARP/wARP FAQ for 7.3.

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ARP/wARP 7.5 changes

ARP/wARP (as disitributed with CCP4 6.5) has changed the default behaviour for filename prefix of result files. Therefore, autoSHARP doesn't find the results fro auto-building with ARP/wARP and will run identical density-modification jobs (based on the first, PARROT/BUCCANEER-based model).

This will be accommodated for in the next release.

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CCP4 6.4.0

The latest CCP4 version 6.4.0 has introduced a few changes that will impact on SHARP/autoSHARP.

PUBLIC_FONT84/font84.dat

The environmental variable PUBLIC_FONT84 (pointing to a binary file, font84.dat) has been removed and the ASCII file font84.ascii is now used directly. However, if the variable PUBLIC_FONT84 is still set (as eg. by SHARP/autoSHARP), CCP4 programs are trying to use the file it points to instead of the new default of font84.ascii. but since the file pointed to by PUBLIC_FONT84 doesn't exist you will see an error like

     2.1.2 plotting self-rotation function    (details)
ERROR   : (see    selfrot_1_1-2.log)

and in more detail:

 Open failed: Unit:  89, File: /Applications/ccp4-6.4.0/lib/font84.dat (logical: PUBLIC_FONT84)
Last system error message: No such file or directory
 POLARRFN:   Open failed: File: /Applications/ccp4-6.4.0/lib/font84.dat

The solution is to remove the lines

# location of 'font84.dat' file (absolute path including filename):
  [ "X$KeepFromEnv_PUBLIC_FONT84" != "Xyes" ] && \
  PUBLIC_FONT84="$CCP4/lib/data/ccp4/font84.dat"
  export PUBLIC_FONT84

from all files

/where/ever/sharp/machines/*/ccp4.setup

xplot84driver

The OsX, Linux 32bit and Linux 64bit binary distributions for CCP4 6.4.0 don't contain the xplot84driver program. If you rely on that program (as part of the helper setup to view plots from autoSHARP, like self-rotation functions or Harker sections), there are two options:

• keep using the binary from CCP4 6.3.0
• build CCP4 from source: eg. the old-style source package builds this binary on Linux 64bit

Alternatively, use the Postscript version of these plots and your favourit Postscript-viewer (eg. "evince" or such).

Update: the xplot86driver returned to ccp4-6.4.0 in update number 6.