Read libraries from system resource. Wattos started at: January 19, 2007 10:19:04 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/pdb1q75.ent, PDB] Read total number of atoms from PDB formatted coordinate list: 9600 Tolerance (0.1 Angstrom suggested) Doing CalcBond with arguments: [0.1] Done. Checked number of potential pairs: 608 Found number of new bond candidates: 516 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: 20 Found number of new hydrogen bonds: 20 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 15(C ) 1 1 1 3.167 158.975 5 N2 1(G ) 1 O2 15(C ) 1 1 1 3.174 164.914 5 N1 2(G ) 1 N3 14(C ) 1 1 1 3.160 170.506 5 N2 2(G ) 1 O2 14(C ) 1 1 1 3.045 175.662 5 N4 3(C ) 1 O6 13(G ) 1 1 1 2.860 161.217 5 N3 4(U ) 1 N6 12(A ) 1 1 1 3.124 129.748 5 N3 4(U ) 1 N1 12(A ) 1 1 1 3.013 159.613 5 N4 5(C ) 1 O6 11(G ) 1 1 1 2.904 155.633 5 O2* 6(U ) 1 O6 9(G ) 1 1 1 2.853 146.096 5 N1 9(G ) 1 O2 6(U ) 1 1 1 2.998 141.033 5 N2 9(G ) 1 O2 6(U ) 1 1 1 2.767 154.474 5 N1 11(G ) 1 N3 5(C ) 1 1 1 2.918 162.396 5 N2 11(G ) 1 O2 5(C ) 1 1 1 2.834 169.362 5 N6 12(A ) 1 N3 4(U ) 1 1 1 3.124 144.846 5 N6 12(A ) 1 O4 4(U ) 1 1 1 2.640 144.786 5 N1 13(G ) 1 N3 3(C ) 1 1 1 2.850 156.781 5 N2 13(G ) 1 O2 3(C ) 1 1 1 2.712 149.158 5 N2 13(G ) 1 N3 3(C ) 1 1 1 3.082 142.961 5 N4 14(C ) 1 O6 2(G ) 1 1 1 3.185 163.472 5 N4 15(C ) 1 O6 1(G ) 1 1 1 3.063 158.918 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, 1q75_wc.csv] Trying to match bases to eachother for number of bases: 15 Considering number of hydrogen bonds: 20 Results contains number of sets of co-planar bases: 5 Results: Residue: 1( G) Mol: 1 Model: 1 Entry: 1 Residue: 15( C) Mol: 1 Model: 1 Entry: 1 Residue: 2( G) Mol: 1 Model: 1 Entry: 1 Residue: 14( C) Mol: 1 Model: 1 Entry: 1 Residue: 3( C) Mol: 1 Model: 1 Entry: 1 Residue: 13( G) Mol: 1 Model: 1 Entry: 1 Residue: 4( U) Mol: 1 Model: 1 Entry: 1 Residue: 12( A) Mol: 1 Model: 1 Entry: 1 Residue: 5( C) Mol: 1 Model: 1 Entry: 1 Residue: 11( G) Mol: 1 Model: 1 Entry: 1 Writing results to file: 1q75_wc.csv Wattos started at: January 19, 2007 10:19:04 AM CST Wattos stopped at: January 19, 2007 10:19:08 AM CST Wattos took (#ms): 4577