|||)) 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 #5 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1J95.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 128.9 angstrom b = 67.4 angstrom c = 112 angstrom alpha= 90 degree beta = 125.3 degree gamma= 90 degree C2 monoclinic No. 5 Positions: 4 position 1: x, y, z 1 0 0 0 0 1 0 0 0 0 1 0 position 2: -x, y, -z -1 0 0 0 0 1 0 0 0 0 -1 0 position 3: x+1/2, y+1/2, z 1 0 0 0.5 0 1 0 0.5 0 0 1 0 position 4: -x+1/2, y+1/2, -z -1 0 0 0.5 0 1 0 0.5 0 0 -1 0 125 AA or 14.25 kDa per monomer Input substructure ATOM 531 SD MET A 96 64.931 34.023 18.596 1.00106.25 S ATOM 1241 SD MET B 96 64.306 20.717 18.850 1.00 84.51 S ATOM 1951 SD MET C 96 76.643 20.035 14.018 1.00 99.35 S ATOM 2661 SD MET D 96 77.314 33.389 13.818 1.00114.16 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 _____ _____ _____ _____ 2661 531 1951 1241 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 2661 77.3140 33.3890 13.8180 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 1 531 64.9310 34.0230 18.5960 Polar -177.1043 19.2756 180.0000 Matrix -0.9955 0.0953 -0.0016 0.0953 0.9949 -0.0333 -0.0016 -0.0333 -0.9994 Vector 138.7253 -6.0620 33.6453 Site 2 1951 76.6430 20.0350 14.0180 Polar -87.1059 21.2440 180.0000 Matrix 0.7330 -0.0940 -0.6737 -0.0940 -0.9949 0.0365 -0.6737 0.0365 -0.7381 Vector 32.4411 60.0027 75.0762 Site 3 1241 64.3060 20.7170 18.8500 Polar 137.8937 21.3492 179.9952 Matrix -0.2200 -0.9266 -0.3049 -0.9266 0.1008 0.3622 -0.3049 0.3622 -0.8808 Vector 116.4075 84.0072 42.4869 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~