Content:
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:
% setenv SHARP_home /where/ever/SHARP # for tcsh/csh -- or -- % export SHARP_home=/where/ever/SHARP # for bash/zsh/ksh/sh
source /where/ever/SHARP/setup.csh source /where/ever/BUSTER/setup.csh
. /where/ever/SHARP/setup.sh . /where/ever/BUSTER/setup.sh
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.
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.
The latest CCP4 version 6.4.0 has introduced a few changes that will impact on SHARP/autoSHARP.
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
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:
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.