Re: [ccp4bb] anomalous signal

2014-04-30 Thread Tobias Weinert
Dear Faisal, you could use Phenix to do an f’’ refinement against the data like described here: Liu, Q., Liu, Q. Hendrickson, W. A. (2013). Acta Cryst. D69, 1314-1332. best regards, Tobias On 30 Apr 2014, at 14:01, Faisal Tarique faisaltari...@gmail.com wrote: Dear all I am working

Re: [ccp4bb] Examples of multiple ASU copies with different conformations

2014-01-29 Thread Tobias Weinert
On 27 Jan 2014, at 19:08, Shane Caldwell shane.caldwel...@gmail.com wrote: Here is another interesting one: Perez, C., Koshy, C., Yildiz, Ö., Ziegler, C. (2012). Alternating-access mechanism in conformationally asymmetric trimers of the betaine transporter BetP. Nature. best wishes, Tobias

[ccp4bb] sitcom

2013-11-18 Thread Tobias Weinert
Dear all, i am trying to compare a set of solutions from shelxd against the correct solution and not against the generated “unique set with sitcom my input file looks like this: unit_cell XXX space_group XXX read_sol SOLUTION 1.0 sites.pdb 18 read_set LIST 0.1 try1_fa.lst 100 18 now i tried