Hi,
I'm posting this here as I'm not sure if it's a problem with the ccp4i
interface or ARP/wARP.
When I run arp_solvent (version 7.1) from the ccp4i interface (6.1.2, ccp4i
2.0.5 from fink (32 bit) on OS X 10.6.2) whatever I set the "for REFMAC5
refinement do [not use/use] the Free R flag" to the generated
arp_warp_solvent.par contains:
set freelabin =
and the ARP/wARP log file reads:
mtz labels taken: F_1 SIGF_1
FreeR will not be used
and it isn't.
The ARP/wARP Classic interface works as expected - i.e it generates a
arp_warp.par with:
set freelabin = ' FREE=FreeR_flag '
and the log file contains:
FreeR will be used for monitoring and sigmaa calculations
If I run $warpbin/auto_solvent.sh with fp {F_1} sigfp {SIGF_1} freer
{FreeR_flag} then it works fine - this suggests to me it's the gui that's not
writing the command script for ARP/wARP properly.
Huw
--
Dr Huw Jenkins
Astbury Centre for Structural Molecular Biology
University of Leeds
