Are your structures different MR solutions based on the same dataset? If so, then you could use phenix.find_alt_orig_sym_mate to transform one structure to the same ASU and origin as the other. For the transformed pdb file you could then generate a corresponding mtz file using phenix.maps. Regards, Rob On May 29 2013, Heather Condurso wrote:
Dear all,
I have a few related structures that I would like to compare to make figures for publication but I have a few issues. The biggest issue is that my structures are large (12- 422aa chains) and any attempt at simple alignment in pymol results in a crash. I would like to first compare entire structures, but also compare the differences between related chains in the same structure. I want to look at the small differences in the active site density. What is the best way to do this? Is there a simple way to do this or do I need to make separate pdb files for each chain? Can I use the same mtz or should I rename copies?
I will try a few things but any advice would be greatly appreciated. Heather [email protected] _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
-- Robert Oeffner, Ph.D. Research Associate, The Read Group Department of Haematology, University of Cambridge Cambridge Institute of Medical Research Wellcome Trust / MRC Building, Hills Road, Cambridge, CB2 0XY www-structmed.cimr.cam.ac.uk, tel:01223763234, mobile:07712 887162