|||)) 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 #19 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ha.pdb ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 46.2 angstrom b = 124.85 angstrom c = 167.57 angstrom alpha= 90 degree beta = 90 degree gamma= 90 degree P212121 orthorhombic No. 19 Positions: 4 position 1: x, y, z 1 0 0 0 0 1 0 0 0 0 1 0 position 2: -x+1/2, -y, z+1/2 -1 0 0 0.5 0 -1 0 0 0 0 1 0.5 position 3: -x, y+1/2, -z+1/2 -1 0 0 0 0 1 0 0.5 0 0 -1 0.5 position 4: x+1/2, -y+1/2, -z 1 0 0 0.5 0 -1 0 0.5 0 0 -1 0 20 kDa per monomer Input substructure ATOM 1 Se Se1 1 37.286 25.407 27.993 0.37 60.0 ATOM 2 Se Se1 2 10.884 73.831 38.865 0.41 55.7 ATOM 3 Se Se1 3 8.361 71.768 2.753 0.47 60.0 ATOM 4 Se Se1 4 10.927 68.484 28.376 0.41 60.0 ATOM 5 Se Se1 5 9.140 67.937 3.515 0.40 60.0 ATOM 6 Se Se1 6 10.092 72.139 29.591 0.42 60.0 ATOM 7 Se Se1 7 25.785 14.438 38.278 0.39 60.0 ATOM 8 Se Se1 8 1.893 123.202 33.810 0.34 60.0 ATOM 9 Se Se1 9 36.323 33.831 20.019 0.32 60.0 ATOM 10 Se Se1 10 0.251 20.320 33.179 0.28 60.0 ATOM 11 Se Se1 11 34.341 33.737 24.394 0.21 57.0 ATOM 12 Se Se1 12 37.060 96.879 34.669 0.33 60.0 ATOM 13 Se Se1 13 27.390 9.542 18.287 0.34 60.0 ATOM 14 Se Se1 14 18.308 59.135 7.143 0.31 60.0 ATOM 15 Se Se1 15 15.779 70.823 27.925 0.33 60.0 ATOM 16 Se Se1 16 1.762 98.700 27.211 0.29 60.0 ATOM 17 Se Se1 17 31.490 96.196 28.607 0.06 15.0 SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 _____ _____ 17 12 15 4 3 5 11 9 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 17 31.4900 96.1960 28.6070 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 12 37.0600 96.8790 34.6690 Polar 140.4713 -131.8796 13.1419 Matrix 0.9785 -0.0992 -0.1806 0.1163 0.9894 0.0870 0.1701 -0.1062 0.9797 Vector 8.6611 -5.9118 -1.8654 Sites not related by NCS: 1 2 6 7 8 10 13 14 16 Missing sites completed: None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~