[ccp4bb] refmac5 problem

2012-11-05 Thread Qixu Cai
Dear all, What's the difference between no prior phase information, phase and FOM, Hendrickson-Lattman coefficients, and SAD data directly in the refmac5 GUI of CCP4i? I have a SAD dataset and solve the phase by phenix.autosol. Now I want to refine the structure by refmac5, which kind of input

Re: [ccp4bb] refmac5 problem

2012-11-05 Thread Garib N Murshudov
Dear Cai On 5 Nov 2012, at 09:46, Qixu Cai wrote: Dear all, What's the difference between no prior phase information, phase and FOM, Hendrickson-Lattman coefficients, and SAD data directly in the refmac5 GUI of CCP4i? I would use SAD data directly if you have SAD data set. It just

Re: [ccp4bb] refmac5 problem

2012-11-05 Thread Eleanor Dodson
I don't know what exactly the phenix.autosol output is. If you are satisfied with the solution and have a mtz file containing F sigF HLA etc, then use Hendrickson Lattmann coefficients. If there is only Phase/Fom then use that. I am not sure how you would fare with SAD data directly.. But

Re: [ccp4bb] refmac5 problem

2012-11-05 Thread Navraj Pannu
I am not sure how you would fare with SAD data directly.. If you would like a comparison, check out the refmac paper. http://journals.iucr.org/d/issues/2011/04/00/ba5152/index.html See Figure 1 - this shows model building with ARP/wARP on over 100 data sets using the different Refmac