Dear Jiawei, Thanks for spotting this and bringing it to our attention. It is a serious bug in the interface when using the default protocol for Acorn. When running Acorn to determine heavy atoms the default is to truncate the resolution to 3.5 Angstroms. However this default is there for all modes of operation and as it uses the same keyword for general resolution truncation it causes this issue. I'll send you a fix for it in a later email but we'll also provide this as an update in the next ccp4 auto update which will hopefully be the end of this week or early next week.
(Note: to install the ccp4 auto updater please visit http://www.ccp4.ac.uk/download/update_manual.html). Best wishes, Ronan -----Original Message----- From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of jwwang Sent: 05 December 2012 01:34 To: ccp4bb Subject: [ccp4bb] Bug of GUI of ACORN? Hi, In the GUI of ACORN, I use all the default setting, which should mean all observed reflections in the mtz file will be used for ab initio phasing. However, the command file output by GUI includes the keyword "RESO 50 3.5". It's ridiculous that GUI has cut off the resolution to 3.5 A, which makes the ACORN running failed. If I set the full resolution in GUI with "Use data from resolution range 50 1.2", the command file will include two "RESO" keyword --- "RESO 50 1.2" & "RESO 50 3.5", which means resolution was still cut to the 3.5 A. Is it a bug in the GUI of ACORN? BTW, if you use the script to run ACORN, everything is fine. Best, Jiawei Wang -- Scanned by iCritical.
