|||)) 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: ./16GS.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 77.537 angstrom b = 89.797 angstrom c = 68.673 angstrom alpha= 90 degree beta = 97.79 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 0 209 AA or 23.826 kDa per monomer Input substructure HETATM 145 SD MET A 19 21.998 -6.141 21.021 1.00 27.59 S HETATM 713 SD MET A 91 25.650 9.750 5.986 1.00 25.12 S HETATM 1789 SD MET B 19 20.618 30.649 14.113 1.00 25.91 S HETATM 2357 SD MET B 91 21.365 14.981 29.825 1.00 21.31 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 _____ _____ 2357 713 1789 145 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 2357 21.3650 14.9810 29.8250 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 1 713 25.6500 9.7500 5.9860 Polar 86.1446 -9.3434 180.0000 Matrix 0.9385 0.1324 0.3189 0.1324 -0.9910 0.0218 0.3189 0.0218 -0.9475 Vector -5.9081 21.1552 27.1267 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~