|||)) 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 #4 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: sub.pdb ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 59.339 angstrom b = 134.185 angstrom c = 91.062 angstrom alpha= 90 degree beta = 104.08 degree gamma= 90 degree P21 monoclinic No. 4 Positions: 2 position 1: x, y, z 1 0 0 0 0 1 0 0 0 0 1 0 position 2: -x, y+1/2, -z -1 0 0 0 0 1 0 0.5 0 0 -1 0 20 kDa per monomer Input substructure HETATM 1 A HAT 1 -8.282 -26.813 -35.461 1.000 20.00 HETATM 2 A HAT 2 -25.452 -21.477 -22.467 1.000 20.00 HETATM 3 A HAT 3 -43.755 -18.016 -6.359 1.000 20.00 HETATM 4 A HAT 4 -13.984 -29.532 -19.866 1.000 20.00 HETATM 5 A HAT 5 3.663 -20.837 -30.164 1.000 20.00 HETATM 6 A HAT 6 22.923 -10.311 -44.713 1.000 20.00 HETATM 7 A HAT 7 -22.076 1.989 4.169 1.000 20.00 HETATM 8 A HAT 8 -25.456 16.744 -12.475 1.000 20.00 HETATM 9 A HAT 9 -27.477 36.576 -29.608 1.000 20.00 HETATM 10 A HAT 10 -17.777 17.086 -0.730 1.000 20.00 HETATM 11 A HAT 11 -9.086 -2.940 3.351 1.000 20.00 HETATM 12 A HAT 12 -3.725 -25.827 9.875 1.000 20.00 HETATM 13 A HAT 13 -2.239 23.540 -37.233 1.000 20.00 HETATM 14 A HAT 14 -10.895 6.247 -47.707 1.000 20.00 HETAT 15 A HAT 15 -18.456 -14.025 -61.474 1.000 20.00 HETATM 16 A HAT 16 2.876 10.191 -46.438 1.000 20.00 HETATM 17 A HAT 17 6.120 18.940 -26.737 1.000 20.00 HETATM 18 A HAT 18 9.744 31.644 -6.150 1.000 20.00 HETATM 101 SD MET A 23 0.214 31.240 51.698 1.00 39.42 S HETATM 102 SD MET A 23 71.771 84.669 71.271 1.00 39.42 S HETATM 103 SD MET A 23 -38.834 72.250 1.718 1.00 39.42 S HETATM 104 SD MET A 23 13.645 45.159 -54.271 1.00 39.42 S HETATM 105 SD MET A 23 -3.574 27.676 -15.688 1.00 39.42 S HETATM 106 SD MET A 23 21.876 -6.769 43.773 1.00 39.42 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 _____ _____ _____ _____ _____ _____ 1 4 13 7 10 16 5 2 17 11 8 14 6 3 18 12 9 [0] Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 1 -8.2820 -26.8130 -35.4610 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 4 -13.9840 -29.5320 -19.8660 Polar -169.3561 -77.6908 180.0000 Matrix -0.9969 0.0774 0.0142 0.0774 0.9318 0.3547 0.0142 0.3547 -0.9349 Vector 29.1435 13.2867 -91.6683 Site 2 13 -2.2390 23.5400 -37.2330 Polar 95.7124 -23.8470 119.8959 Matrix 0.7427 -0.4845 0.4623 0.2130 -0.4836 -0.8490 0.6349 0.7290 -0.2559 Vector 7.6152 116.3590 -21.3853 Site 3 7 -22.0760 1.9890 4.1690 Polar 84.2876 156.1530 119.8959 Matrix 0.7427 0.2130 0.6349 -0.4845 -0.4836 0.7290 0.4623 -0.8490 -0.2559 Vector -16.8652 75.5479 89.7931 Site 4 10 -17.7770 17.0860 -0.7300 Polar 51.4717 61.4427 179.9896 Matrix -0.7203 0.4659 -0.5139 0.4659 -0.2240 -0.8560 -0.5139 -0.8560 -0.0557 Vector -91.4918 14.8239 85.2934 Site 5 16 2.8760 10.1910 -46.4380 Polar 68.6855 -111.9276 179.7470 Matrix -0.7579 -0.2567 -0.5997 -0.2491 -0.7357 0.6298 -0.6029 0.6267 0.4937 Vector 27.5657 145.0254 -17.3075 Sites not related by NCS: 101 102 103 104 105 106 Missing sites completed: [0] 39.6527 118.7421 -59.6646 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~