|||)) 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: APC121.SE.pdb ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 62.7 angstrom b = 86 angstrom c = 93.9 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 22 kDa per monomer Input substructure ATOM 7 SD MET A 1 -8.384 -16.644 13.802 1.00 76.98 S ATOM 570 SD MET A 72 3.317 2.982 40.770 1.00 34.09 S ATOM 714 SD MET A 92 5.411 -0.543 53.420 1.00 51.56 S ATOM 1144 SD MET A 144 6.496 -8.326 57.377 1.00 64.85 S ATOM 1349 SD MET A 171 -10.111 -9.478 44.772 1.00 34.21 S ATOM 1406 SD MET A 179 -17.296 -7.399 29.277 1.00 43.74 S ATOM 1471 SD MET B 1 -15.884 20.282 34.092 1.00 84.92 S ATOM 2034 SD MET B 72 3.395 3.574 6.796 1.00 38.15 S ATOM 2178 SD MET B 92 4.066 7.944 -5.143 1.00 47.52 S ATOM 2608 SD MET B 144 2.559 15.634 -8.402 1.00 63.10 S ATOM 2813 SD MET B 171 -13.595 10.850 2.793 1.00 27.55 S ATOM 2870 SD MET B 179 -19.429 6.446 18.291 1.00 44.73 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 _____ _____ 2813 1349 2870 1406 2034 570 2178 714 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 2813 -13.5950 10.8500 2.7930 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 1349 -10.1110 -9.4780 44.7720 Polar 100.0185 179.7286 180.0000 Matrix 0.9394 0.3426 0.0092 0.3426 -0.9395 0.0016 0.0092 0.0016 -1.0000 Vector 2.6280 69.8582 47.2150 Sites not related by NCS: 7 1144 1471 2608 Missing sites completed: None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~