Dear Tim, excellent. Thank you for the quick fix.
Cheers, Uli ________________________________ From: Tim Wiegels [[email protected]] Sent: 31 January 2014 12:24 To: Gohlke, Ulrich Cc: [email protected] Subject: Re: [ccp4bb] bug in Arp/wArp solvent? Dear Uli, thanks for letting us know - this is a bug that just happens in the CCP4i interface. If you use the command line, everything works fine. Here is an example how to use arp-solvent on the command line: # auto_solvent.sh datafile xxx.mtz protein xxx_start.pdb freelabin FREE We also just fixed the bug in the CCP4i interface, this will either come to you via the CCP4i updater or a near-future ARP/wARP patch ;) Cheers, Tim On 31 Jan 2014, at 09:30, [email protected]<mailto:[email protected]> <[email protected]<mailto:[email protected]>> wrote: Dear Arp/wArp developers, there seems to be a bug in the latest version of Arp/wArp Solvent (7.4 patch 1) shipped with ccp4 v 6.4.0: despite ticking the box "For REFMAC 5 refinement do USE the Free R flag", the log file shows the message "FreeR will not be used" (and it clearly doesn't). Or am I missing something here? Cheers, Uli --------------------------------------------------------------------------- dr ulrich gohlke staff scientist - macromolecular structure and interaction max-delbrück-center for molecular medicine (mdc) +49 30 9406 - 2725 (w) +49 30 9406 - 2548 (fax) [email protected]<mailto:[email protected]> http://www.mdc-berlin.de/en/research/research_teams/macromolecular_structure_and_interaction/ __________________________________ Dr. Tim Wiegels Postdoc @ Lamzin Group, EMBL Hamburg __________________________________ EMBL Hamburg c/o DESY Notkestrasse 85 DE-22603 HAMBURG GERMANY Phone 0049 40 89902-184 Fax 0049 40 89902-149
