Re: [ccp4bb] bias removal server

2011-12-20 Thread Bernhard Rupp (Hofkristallrat a.D.)
I am not sure this service is maintained anymore, but given that with automated model building pretty much the same can be achieved nowadays (pus benefit of a model), the ARP/wARP server in Hamburg is a well-working and up-to-date alternative. BR From: CCP4 bulletin board [mailto:CCP4BB@JI

[ccp4bb] bias removal server

2011-12-20 Thread Rajesh kumar
Dear All, Any of you know if the Bias removal server at http://tuna.tamu.edu/ works?My friend says that 'may be the server doesn't exist' as he never heard back from them about login info. ThanksRajesh

[ccp4bb] density mod., NSC and software..

2011-12-20 Thread Tommi Kajander
Dear all, Stupid question: if i do density modification (flattening and extension say from 6 to 4Å) w/o averaging on a symmetrical, say dimer, would you expect the thing stays symmetric nevertheless? (in particular if there is a strong peak in the NCS??) (seems to me it doenst necessarily...)

[ccp4bb] new version of XDS

2011-12-20 Thread Kay Diederichs
Dear all, a new version of the XDS package can be downloaded at http://homes.mpimf-heidelberg.mpg.de/~kabsch/xds/ - the old version is going to expire after Dec 31. best, Kay -- Kay Diederichshttp://strucbio.biologie.uni-konstanz.de email: kay.diederi...@uni-konstanz.deTe

[ccp4bb] off-topic: Phoenix robot problems - short summary of replies

2011-12-20 Thread Gregor Witte
Dear CCP4ers, Thanks a lot for all your replies. Additionally, I have to thank Art Robbins, Dave Wright and colleagues from Art Robbins Instruments for almost immediate replies and for taking care of our problems. Besides of the normal wash steps that we do and of course a well prepared protein s

[ccp4bb] Refmac with TLS terminates early when occupancy changed

2011-12-20 Thread Krisztian Fodor
Hello Guys, I am trying to refine a 3.2 A complex structure with Refmac using TLS. It seems that I need to decrease the occupancy for a 38 amino acid peptide in the structure. However, after changing the occupancy to 0.50, Refmac terminates after 4 rounds of TLS refinement. The only "error

[ccp4bb] Course announcement: Computational methods for macromolecular phasing and refinement, 11-16th March 2012

2011-12-20 Thread martyn . winn
A CECAM/CCP4 Workshop will take place at the Spanish CECAM node in Zaragoza from 19:00 on March 11th to 20:00 on March 16th 2012. The overall objective of this course is to provide an intensive practical training in all computational aspects of macromolecular structure elucidation by X ray diffr