Re: [ccp4bb] AIMLESS unmerged MTZ output

ISYM/2 is the symmetry number used to generate the unique hkl from the original. If ISYM is odd then it is the symop. If even then the symop is negated. Thus ISYM = 1 = h,k,l. ISYM = 2 = -h,-k,-l Symmetry number is order of operators There is some code in C in the CCP4 library and in C++ in eg

Re: [ccp4bb] AIMLESS unmerged MTZ output

Hello Phil, the order of reflections, or the order of operators? How would I reproduce "Orig." H K L, as VIEWHKL appears to do? Thank you. Wolfram On Fri, Jun 23, 2017 at 1:50 AM, Phil wrote: > Yes. With the caveat that ISYM refers to the symmetry operators in the >

Re: [ccp4bb] Se-Met and Se-Cys double labelling

Hi vito, I don't think you need double labelling. Two (if there is a Met at the N-term it might be less ordered) or three SeMet should suffice to phase 360 residues. It was true in the old days that a Se could phase less than a hundred residues, but if your measurement is good (resolution