Hi Charlie,
I am a first time user to phenix , and I have just completed the autobuild function,.
My question may have been asked many times before, but..
The output after the cycles of autobuild/refinement gave me a refined file for a 2.2 Angstrom data set with an R/Rfree of .28/.32.
I want to take a look at the density modified maps and see what I can adjust further, but am having trouble loading it in coot.
Am I correct in understanding that Coot can load and construct 2f0- fc maps? if so How? :
exptl_fobs_phases_freeR_flags. mtz overall_best_denmod_map_coeffs.mtz; overall_best_refine_map_coeffs.mtz;
You can read in overall_best_refine_map_coeffs.mtz to coot (not auto- load) and then select the columns 2FOFCWT and PH2FOFCWT and coot should make your map.
Also from reading the manual, as I understand it, the phenix.refine command will automatically generate Coot compatible maps. But if I take my autobuild.pdb file and the original mtz data file, how can I quickly obtain the same R/Rfree, what commands would I have to imput other than phenix.refine mtz pbd?
phenix.refine exptl_fobs_phases_freeR_flags.mtz overall_best.pdb \ main.number_of_macro_cycles=1 strategy=none should do it
Also, is it possible to make 3Fo-2Fc maps?
I'm not certain on that one.. -Tom T
Thanks Charlie _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb