* 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
