|
| | docking.jumps = rosetta.utility.vector1_int() |
| |
| | docking.pose = rosetta.pose_from_file('/Users/sergey/rosie_uploads/docking/1brs.pdb') |
| |
| | docking.scorefxn = rosetta.get_fa_scorefxn() |
| |
| | docking.pymol = rosetta.PyMOL_Mover() |
| |
| | docking.docking_jump = jumps[1] |
| |
| | docking.a1 = rosetta.numeric.xyzVector_double(0,0,0) |
| |
| | docking.a2 = rosetta.numeric.xyzVector_double(1,0,0) |
| |
| | docking.a3 = rosetta.numeric.xyzVector_double(0,1,0) |
| |
| | docking.an = rosetta.numeric.xyzVector_double(0,0,1) |
| |
| | docking.b1 = rosetta.numeric.xyzVector_double(10 + 0,0,0) |
| |
| | docking.b2 = rosetta.numeric.xyzVector_double(10 + 1,0,0) |
| |
| | docking.b3 = rosetta.numeric.xyzVector_double(10 + 0,1,0) |
| |
| | docking.bn = rosetta.numeric.xyzVector_double(10 + 0,0,1) |
| |
| | docking.Q = rosetta.numeric.xyzMatrix_double() |
| |
| | docking.U = rosetta.numeric.xyzMatrix_double() |
| |
| | docking.R = U * rosetta.numeric.inverse(Q) |
| |
| | docking.s = b1 - R * a1 |
| |
