|||)) 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: ta649p-try1_0.SnB_pdb ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 120.86 angstrom b = 72.26 angstrom c = 87.68 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 24 kDa per monomer Input substructure ATOM 1 Se SnB 1 62.227 40.380 79.863 1.00 20.00 ATOM 2 Se SnB 2 25.486 69.309 86.657 1.00 20.00 ATOM 3 Se SnB 3 35.551 40.460 53.565 1.00 20.00 ATOM 4 Se SnB 4 86.239 66.162 77.156 1.00 20.00 ATOM 5 Se SnB 5 5.397 42.807 81.440 1.00 20.00 ATOM 6 Se SnB 6 110.821 67.962 53.375 1.00 20.00 ATOM 7 Se SnB 7 58.271 36.717 50.177 1.00 20.00 ATOM 8 Se SnB 8 114.978 68.223 49.524 1.00 20.00 ATOM 9 Se SnB 9 34.049 64.390 44.215 1.00 20.00 ATOM 10 Se SnB 10 16.985 37.054 43.725 1.00 20.00 ATOM 11 Se SnB 11 58.895 66.114 51.227 1.00 20.00 ATOM 12 Se SnB 12 1.627 67.900 77.264 1.00 20.00 ATOM 13 Se SnB 13 73.620 38.440 44.956 1.00 20.00 ATOM 14 Se SnB 14 15.057 37.936 48.124 1.00 20.00 ATOM 15 Se SnB 15 116.169 64.497 59.402 1.00 20.00 ATOM 16 Se SnB 16 102.744 45.619 60.554 1.00 20.00 ATOM 17 Se SnB 17 119.618 39.209 49.397 1.00 20.00 ATOM 18 Se SnB 18 94.397 71.598 46.805 1.00 20.00 ATOM 19 Se SnB 19 38.128 41.519 58.105 1.00 20.00 ATOM 20 Se SnB 20 32.434 45.117 62.768 1.00 20.00 ATOM 21 Se SnB 21 26.751 42.964 79.777 1.00 20.00 ATOM 22 Se SnB 22 98.119 45.314 46.947 1.00 20.00 ATOM 23 Se SnB 23 92.221 41.329 71.518 1.00 20.00 ATOM 24 Se SnB 24 14.125 70.856 47.714 1.00 20.00 ATOM 25 Se SnB 25 60.886 66.439 76.090 1.00 20.00 ATOM 26 Se SnB 26 29.016 69.844 55.899 1.00 20.00 ATOM 27 Se SnB 27 99.068 69.244 82.481 1.00 20.00 ATOM 28 Se SnB 28 110.852 53.148 74.471 1.00 20.00 ATOM 29 Se SnB 29 94.176 48.145 53.263 1.00 20.00 ATOM 30 Se SnB 30 39.982 50.606 67.796 1.00 20.00 SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 _____ _____ 3 8 19 6 20 15 14 24 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 3 35.5510 40.4600 53.5650 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 8 114.9780 68.2230 49.5240 Polar -88.8724 85.2278 179.9860 Matrix -0.9862 -0.0033 -0.1657 -0.0033 -0.9992 0.0392 -0.1657 0.0392 0.9854 Vector 23.0801 110.4652 -0.2551 Sites not related by NCS: 1 2 4 5 7 9 10 11 12 13 16 17 18 21 22 23 25 26 27 28 29 30 Missing sites completed: None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~