|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #92 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: apc1217-ha.pdb ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 58.1117 angstrom b = 58.1117 angstrom c = 296.493 angstrom alpha= 90 degree beta = 90 degree gamma= 90 degree P41212 tetragonal No. 92 Positions: 8 position 1: x, y, z 1 0 0 0 0 1 0 0 0 0 1 0 position 2: -x, -y, z+1/2 -1 0 0 0 0 -1 0 0 0 0 1 0.5 position 3: -y+1/2, x+1/2, z+1/4 0 -1 0 0.5 1 0 0 0.5 0 0 1 0.25 position 4: y+1/2, -x+1/2, z+3/4 0 1 0 0.5 -1 0 0 0.5 0 0 1 0.75 position 5: -x+1/2, y+1/2, -z+1/4 -1 0 0 0.5 0 1 0 0.5 0 0 -1 0.25 position 6: x+1/2, -y+1/2, -z+3/4 1 0 0 0.5 0 -1 0 0.5 0 0 -1 0.75 position 7: y, x, -z 0 1 0 0 1 0 0 0 0 0 -1 0 position 8: -y, -x, -z+1/2 0 -1 0 0 -1 0 0 0 0 0 -1 0.5 20 kDa per monomer Input substructure ATOM 1 Se Se1 1 36.695 40.501 9.806 0.46 45.0 ATOM 2 Se Se1 2 46.953 50.722 16.236 0.40 52.7 ATOM 3 Se Se1 3 55.130 51.675 25.910 0.47 56.2 ATOM 4 Se Se1 4 11.338 55.688 3.585 0.26 42.4 ATOM 5 Se Se1 5 3.530 34.537 17.841 0.36 43.2 ATOM 6 Se Se1 6 36.777 54.076 10.789 0.28 52.7 ATOM 7 Se Se1 7 44.941 9.138 3.078 0.42 60.0 ATOM 8 Se Se1 8 4.485 41.866 7.937 0.52 60.0 ATOM 9 Se Se1 9 37.420 36.875 16.280 0.06 18.5 ATOM 10 Se Se1 10 25.319 3.138 0.930 0.24 60.0 ATOM 11 Se Se1 11 23.052 33.277 18.854 0.25 60.0 SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 _____ _____ 4 1 8 2 5 3 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 4 11.3380 55.6880 3.5850 Polar 0.0000 0.0000 0.0000 Matrix 1.0000 0.0000 0.0000 0.0000 1.0000 -0.0000 -0.0000 0.0000 1.0000 Vector 0.0000 0.0000 0.0000 Site 1 1 36.6950 40.5010 9.8060 Polar -107.4434 109.1236 180.0000 Matrix -0.8046 -0.1874 0.5634 -0.1874 -0.8203 -0.5404 0.5634 -0.5404 0.6249 Vector -14.8115 -15.5374 -0.0314 Sites not related by NCS: 6 7 9 10 11 Missing sites completed: None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~