|||)) 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 #1 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ha.pdb ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 46.37 angstrom b = 50.42 angstrom c = 89.41 angstrom alpha= 104.38 degree beta = 90.61 degree gamma= 112.05 degree P1 triclinic No. 1 Positions: 1 position 1: x, y, z 1 0 0 0 0 1 0 0 0 0 1 0 20 kDa per monomer Input substructure ATOM 11 Se Se1 1 0.043 -0.006 0.279 0.42 31.00 ATOM 12 Se Se1 5 37.991 7.773 27.600 0.27 20.10 ATOM 13 Se Se1 3 15.342 15.097 38.833 0.35 20.60 ATOM 14 Se Se1 2 31.304 -5.649 56.134 0.40 23.10 ATOM 21 Se Se1 13 0.807 7.608 7.055 0.36 42.80 ATOM 22 Se Se1 16 -9.238 17.351 22.767 0.28 36.90 ATOM 23 Se Se1 9 12.092 5.069 40.090 0.37 34.60 ATOM 24 Se Se1 11 33.357 -11.175 46.785 0.44 48.60 ATOM 31 Se Se1 14 30.040 -1.182 15.838 0.17 11.30 ATOM 32 Se Se1 15 -5.756 24.636 77.524 0.19 16.90 ATOM 33 Se Se1 8 1.709 20.188 29.935 0.27 22.60 ATOM 34 Se Se1 12 -9.604 9.416 51.196 0.16 13.60 ATOM 41 Se Se1 4 10.149 31.220 25.126 0.44 37.90 ATOM 42 Se Se1 7 -11.594 16.711 66.959 0.27 19.20 ATOM 43 Se Se1 6 8.475 35.727 26.080 0.40 30.70 ATOM 44 Se Se1 10 -8.348 13.845 65.463 0.30 28.20 ATO 45 Se Se1 17 -5.578 -53.877 -47.034 0.30 28.20 SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 _____ _____ _____ _____ 31 32 33 34 43 42 41 44 12 13 11 14 24 23 21 22 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 31 30.0400 -1.1820 15.8380 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 32 -5.7560 24.6360 77.5240 Polar 149.1407 16.9802 104.5441 Matrix 0.0500 -0.3819 -0.9229 -0.6719 0.6708 -0.3140 0.7390 0.6357 -0.2231 Vector 10.3155 41.1609 23.5108 Site 2 33 1.7090 20.1880 29.9350 Polar -82.6683 135.7781 179.9304 Matrix 0.0104 0.1806 0.9835 0.1822 -0.9674 0.1757 0.9832 0.1774 -0.0430 Vector -13.5688 -122.7411 36.6355 Site 3 34 -9.6040 9.4160 51.1960 Polar 74.2183 88.9208 167.3764 Matrix -0.9752 0.2200 0.0250 -0.2005 -0.8297 -0.5210 -0.0939 -0.5131 0.8532 Vector 22.9137 -43.9248 -72.3584 Sites not related by NCS: None Missing sites completed: None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~