On Mar 2, 2010, at 3:27 PM, J. Fleming wrote:
I have a set of Se-Met SAD data, high resolution x-ray data, and a protein sequence. Is there a way to combine these data sets in Phenix and carry out an autobuild? I saw a section in the manual about MRSAD but that requires a starting model. I've used the SAD data alone to generate a model but I'd like to use both data sets together.
If they're isomorphous, yes, refer to the AutoBuild documentation: http://www.phenix-online.org/version_docs/dev-328/autobuild.htm#anch161 "Merge in hires data phenix.autobuild data=solve_2.mtz hires_file=w1.sca seq_file=seq.dat The high-resolution data in w1.sca will be used for FP and SIGFP. Other information from solve_2.mtz (PHIB FOM HLA HLB HLC HLD) will be kept." (And when running phenix.refine, you can also use the HL coefficients for experimental phase restraints.) ------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]