On 18/11/2016 03:57, chemocev marker wrote:
Hi All
I am interested to measure the symmetry axis of individual sub-unit (chain A &
chain B)
along with the symmetry axis of the heterdimer (AB). Each chain is also 2 fold
axis, and I
can measure by removing 1 chain and measure for the other and then combine all
the symmetry
axis in the 1 PDB file. Is there is a way to do it with out removing the either
chain.
I'm not sure that I fully understood the question, but you could try Coot's
superpose_with_atom_selection, where you can specify the residue selection for
the superposition
e.g.
Calculate -> Scripting -> Python
superpose_with_atom_selection(0, 0, '//A/1-200', '//A/201-400', 1)
will produce output like this:
| 0.9705, -0.0469, -0.2365|
| 0.2359, 0.3887, 0.8907|
| 0.05015, -0.9202, 0.3883|
( 37.8, -17.18, 13.83)
Rotation - polar (omega,phi,kappa) 81.2326 -171.0041 68.0547
Rotation - euler (alpha,beta,gamma) 104.8719 67.1530 -93.1198
Translation - Angstroms 37.8021 -17.1809 13.8283
INFO: core rmsd achieved: 0.4517 Angstroems
number of residues in reference structure: 200
number of residues in moving structure: 200
number of residues in aligned sections (reference): 200
number of residues in aligned sections (moving): 200
number of aligned residues: 200
Paul.
