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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

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Dr Huw Jenkins
Astbury Centre for Structural Molecular Biology 
University of Leeds