|||)) 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: ./1JVM.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 129.8 angstrom b = 69.4 angstrom c = 112.7 angstrom alpha= 90 degree beta = 125.6 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 64.911 33.711 18.754 1.00104.55 S ATOM 1228 SD MET B 96 64.887 20.126 18.885 1.00 97.21 S ATOM 1946 SD MET C 96 77.490 20.085 13.904 1.00101.63 S ATOM 2646 SD MET D 96 77.552 33.665 13.947 1.00102.12 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 _____ _____ _____ _____ 1946 531 2646 1228 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 1946 77.4900 20.0850 13.9040 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 64.9110 33.7110 18.7540 Polar 90.1074 111.1931 180.0000 Matrix -0.7386 0.0014 0.6741 0.0014 -1.0000 0.0035 0.6741 0.0035 0.7386 Vector 112.7336 53.6396 -43.8186 Site 2 2646 77.5520 33.6650 13.9470 Polar -89.8922 111.1938 90.0000 Matrix 0.1307 -0.9317 0.3389 0.9330 0.0000 -0.3598 0.3352 0.3633 0.8693 Vector 81.4128 -33.6547 -31.5001 Site 3 1228 64.8870 20.1260 18.8850 Polar -90.1073 -68.8062 90.0000 Matrix 0.1307 0.9330 0.3352 -0.9317 0.0000 0.3633 0.3389 -0.3598 0.8693 Vector 31.3193 87.2941 -12.3198 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~