Read libraries from system resource. Wattos started at: January 19, 2007 10:16:47 AM CST Program arguments [1] :[-at] SubMenus:----------------------------------------------------- File Edit View Options Prop - Attr Calc Help - Commands:----------------------------------------------------- - Read libraries from system resource. SubMenus:----------------------------------------------------- File Edit View Options Prop - Attr Calc Help - Commands:----------------------------------------------------- - SubMenus:----------------------------------------------------- File Edit View Options Prop - Attr Calc Help - Commands:----------------------------------------------------- - Enter property name: Enter property value (watch value type) for interactiveSession: Enter property name: Enter property value (watch value type) for verbosity: Enter property name: Enter property value (watch value type) for writeSessionOnExit: Enter property name: Enter property value (watch value type) for stopOnError: Enter url to (gzipped) PDB formatted coordinate file: Doing ReadEntryPDB with arguments: [file:/dumpzone/pdb/nozip/data/structures/all/pdb/pdb1hwq.ent, PDB] Read total number of atoms from PDB formatted coordinate list: 19420 Tolerance (0.1 Angstrom suggested) Doing CalcBond with arguments: [0.1] Done. Checked number of potential pairs: 1257 Found number of new bond candidates: 1046 Hydrogen bond distance between proton and acceptor cutoff (2.7 Angstroms suggested) Hydrogen bond distance between donor and acceptor cutoff (3.35 Angstroms suggested) Hydrogen bond angle (D-H-A) cutoff (90 degrees suggested) Doing CalcHydrogenBond with arguments: [2.7, 3.35, 90.0] Found number of new hydrogen bond candidates: 56 Found number of new hydrogen bonds: 56 Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N1 1(G ) 1 N3 30(C ) 1 1 1 2.671 151.687 5 N1 1(G ) 1 N4 30(C ) 1 1 1 2.786 130.573 5 N2 1(G ) 1 O2 30(C ) 1 1 1 2.505 120.696 5 N2 1(G ) 1 N3 30(C ) 1 1 1 2.597 155.814 5 N1 2(G ) 1 N3 29(C ) 1 1 1 2.681 153.074 5 N1 2(G ) 1 N4 29(C ) 1 1 1 2.799 131.686 5 N2 2(G ) 1 O2 29(C ) 1 1 1 2.505 120.163 5 N2 2(G ) 1 N3 29(C ) 1 1 1 2.602 157.784 5 N3 3(U ) 1 O6 28(G ) 1 1 1 3.079 173.275 5 N1 4(G ) 1 N3 27(C ) 1 1 1 2.675 150.782 5 N1 4(G ) 1 N4 27(C ) 1 1 1 2.779 131.442 5 N2 4(G ) 1 O2 27(C ) 1 1 1 2.504 118.645 5 N2 4(G ) 1 N3 27(C ) 1 1 1 2.581 155.211 5 N4 5(C ) 1 O6 26(G ) 1 1 1 2.539 132.606 5 N4 5(C ) 1 N1 26(G ) 1 1 1 2.743 142.257 5 N2 6(G ) 1 N7 25(A ) 1 1 1 2.873 161.784 5 N6 7(A ) 1 N3 24(G ) 1 1 1 2.853 150.553 5 N6 8(A ) 1 O2 23(C ) 1 1 1 2.346 170.867 5 N6 8(A ) 1 N3 23(C ) 1 1 1 2.610 109.296 5 N1 9(G ) 1 N3 22(C ) 1 1 1 2.663 155.364 5 N1 9(G ) 1 N4 22(C ) 1 1 1 2.805 130.888 5 N2 9(G ) 1 O2 22(C ) 1 1 1 2.513 123.262 5 N2 9(G ) 1 N3 22(C ) 1 1 1 2.645 156.160 5 N1 10(G ) 1 N3 21(C ) 1 1 1 2.677 153.465 5 N1 10(G ) 1 N4 21(C ) 1 1 1 2.797 130.694 5 N2 10(G ) 1 O2 21(C ) 1 1 1 2.512 121.442 5 N2 10(G ) 1 N3 21(C ) 1 1 1 2.626 156.236 5 N1 11(G ) 1 N3 20(C ) 1 1 1 2.637 145.583 5 N1 11(G ) 1 N4 20(C ) 1 1 1 2.755 129.783 5 N2 11(G ) 1 O2 20(C ) 1 1 1 2.456 118.240 5 N2 11(G ) 1 N3 20(C ) 1 1 1 2.557 149.810 5 N4 12(C ) 1 O6 19(G ) 1 1 1 2.616 113.110 5 N4 12(C ) 1 N1 19(G ) 1 1 1 2.597 130.902 5 N1 19(G ) 1 N3 12(C ) 1 1 1 2.703 125.238 5 N1 19(G ) 1 N4 12(C ) 1 1 1 2.597 120.838 5 N2 19(G ) 1 O2 12(C ) 1 1 1 2.544 110.281 5 N2 19(G ) 1 N3 12(C ) 1 1 1 2.397 140.639 5 N4 20(C ) 1 O6 11(G ) 1 1 1 2.569 134.329 5 N4 20(C ) 1 N1 11(G ) 1 1 1 2.755 140.899 5 N4 21(C ) 1 O6 10(G ) 1 1 1 2.565 137.477 5 N4 21(C ) 1 N1 10(G ) 1 1 1 2.797 144.597 5 N4 22(C ) 1 O6 9(G ) 1 1 1 2.544 137.743 5 N4 22(C ) 1 N1 9(G ) 1 1 1 2.805 144.451 5 N2 24(G ) 1 N7 7(A ) 1 1 1 2.913 163.868 5 N6 25(A ) 1 N3 6(G ) 1 1 1 2.926 161.660 5 N1 26(G ) 1 N3 5(C ) 1 1 1 2.685 148.126 5 N1 26(G ) 1 N4 5(C ) 1 1 1 2.743 129.247 5 N2 26(G ) 1 O2 5(C ) 1 1 1 2.556 119.289 5 N2 26(G ) 1 N3 5(C ) 1 1 1 2.588 155.196 5 N4 27(C ) 1 O6 4(G ) 1 1 1 2.588 138.272 5 N4 27(C ) 1 N1 4(G ) 1 1 1 2.779 142.984 5 N1 28(G ) 1 O2 3(U ) 1 1 1 2.781 157.540 5 N4 29(C ) 1 O6 2(G ) 1 1 1 2.591 138.601 5 N4 29(C ) 1 N1 2(G ) 1 1 1 2.799 143.880 5 N4 30(C ) 1 O6 1(G ) 1 1 1 2.574 136.823 5 N4 30(C ) 1 N1 1(G ) 1 1 1 2.786 144.216 5 Angle cutoff (40.0 degrees suggested) Use only Watson Crick basepairing (false suggested) (y/n): Enter cvs file name (with path) for output of CalcCoPlanarBasesSet.: Doing CalcCoPlanarBasesSet with arguments: [45.0, true, 1hwq_wc.csv] Trying to match bases to eachother for number of bases: 30 Considering number of hydrogen bonds: 56 Results contains number of sets of co-planar bases: 8 Results: Residue: 1( G) Mol: 1 Model: 1 Entry: 1 Residue: 30( C) Mol: 1 Model: 1 Entry: 1 Residue: 2( G) Mol: 1 Model: 1 Entry: 1 Residue: 29( C) Mol: 1 Model: 1 Entry: 1 Residue: 4( G) Mol: 1 Model: 1 Entry: 1 Residue: 27( C) Mol: 1 Model: 1 Entry: 1 Residue: 5( C) Mol: 1 Model: 1 Entry: 1 Residue: 26( G) Mol: 1 Model: 1 Entry: 1 Residue: 9( G) Mol: 1 Model: 1 Entry: 1 Residue: 22( C) Mol: 1 Model: 1 Entry: 1 Residue: 10( G) Mol: 1 Model: 1 Entry: 1 Residue: 21( C) Mol: 1 Model: 1 Entry: 1 Residue: 11( G) Mol: 1 Model: 1 Entry: 1 Residue: 20( C) Mol: 1 Model: 1 Entry: 1 Residue: 12( C) Mol: 1 Model: 1 Entry: 1 Residue: 19( G) Mol: 1 Model: 1 Entry: 1 Writing results to file: 1hwq_wc.csv Wattos started at: January 19, 2007 10:16:47 AM CST Wattos stopped at: January 19, 2007 10:16:54 AM CST Wattos took (#ms): 6489