Re: [ccp4bb] AMPLE failure

2014-07-12 Thread Thomas, Jens
Dear Rob, Sorry to hear that this issue has affected you - it's a known bug which will be fixed in the next ccp4 update. AMPLE has run to completion but crashed printing out the results. To see the results, you can run the following command at the terminal (command-line): /home/rob/Xstal_Prog

[ccp4bb] AMPLE failure

2014-07-12 Thread Robert Kirchdoerfer
Hi, I'm trying to run AMPLE from ccp4-6.4.0 on Linux Ubuntu. It looks like it found all the program dependencies that it needs and Rosetta looks like it ran okay and I think MRBUMP looks alright, but then the program stopped with the following error message: MR and shelx DONE ALL DONE (in

Re: [ccp4bb] Proper detwinning?

2014-07-12 Thread Harry Powell
hi Chris Can you send the date-stamped log file (called something like mosflm_20140712_140235.lp, I.e. with the year, month, date, etc when you ran the program) to me directly (i.e. not to the BB, since it's likely to be of little interest to all the other subscribers...) so I can have a look a

[ccp4bb] Postdoctoral position in structural studies of integral membrane pyrophosphatases

2014-07-12 Thread Adrian Goldman
The Goldman group in the Department of Biosciences at the University of Helsinki invites applications for: A postdoctoral researcher in structural studies on protozoan membrane-bound pyrophosphatases with effect from 1.9.2014, until 31.12.2015. Location: Biocentre 2, Viikinkaari 5, Helsinki Un

Re: [ccp4bb] Proper detwinning?

2014-07-12 Thread Isupov, Michail
Dear Chris, If you have pseudo-translation in your data close to (0,0,0.5), for instance, you will have origin ambiguity and, therefore, two P212121 space groups differing by a choice of origin. When ZANUDA reports P212121 as a correct space group it may be not the space group you have submitted.