If you suspect your MR solution is crystallographically correct but it does not represent the biological entity - eg - you will generate a dimer if you move molecule B by a symmetry operator such -x,y-1/2,1-z then the easy way is to submit the coordinates to PISA - either in the CCP4 GUI or send them to PDBe to search for quaternary structure, and let PISA sort out the best orientations of possible crystal symmetry Eleanor
But Phils suggestion should do the same thing.. On 21 November 2013 18:24, Phil Jeffrey <pjeff...@princeton.edu> wrote: > * Open molecular replacement solution in Coot > * Display crystal packing (Draw>Cell & Symmetry), perhaps as Calphas only > * Find the symmetry-related instance of copyB that is in the correct > position relative to copyA according to your preferences > * Use File>Save Symmetry Coordinates to write the structure transposed by > that operator (note: select the menu option, then click on the copyB > instance) > * Since Coot will write the entire structure transposed by that symop, > assemble the desired solution from copyA from the mol.rep. solution and > copyB from the transposed solution. I'm a Luddite so I use emacs and/or > grep for this. > > Phil Jeffrey > Princeton > > > > 11/21/13 1:11 PM, Appu kumar wrote: >> >> Dear All, >> >> I think i have not explained my problem precisely. This >> may be weird one but let me elaborate more. I have have a protein >> moleculeA, having N-term, and C-term end. Structurally, it is dimer >> with anti-parallel arrangement i.e N-terminal of one copyA of molecule >> form dimer in such a way that it copyB would be arranged in >> antiparallel fashioned (N-term of copyA is besides C-term of CopyB). >> So when i am searching for two copy of molecule in phaser it is giving >> me two copy of molecule in parallel arrangement. So my question is, >> how to tell phaser that after fixing the orientation of first copy, to >> change the orientation of 2nd copy with respect to first one so that >> their n-teminal and c-terminal lies beside each other. I am looking >> for your valuable suggestion. >> Thank you >> >
