Read libraries from system resource. Wattos started at: April 20, 2007 11:46:05 AM CDT 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/pdb1bwt.ent, PDB] Read total number of atoms from PDB formatted coordinate list: 632 Tolerance (0.1 Angstrom suggested) Doing CalcBond with arguments: [0.1] Done. Checked number of potential pairs: 776 Found number of new bond candidates: 680 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: 26 Found number of new hydrogen bonds: 26 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 10(C ) 2 1 1 2.840 170.948 5 N2 1(G ) 1 O2 10(C ) 2 1 1 2.753 172.181 5 N4 2(C ) 1 O6 9(G ) 2 1 1 2.801 178.558 5 N1 3(G ) 1 N3 8(C ) 2 1 1 2.838 175.174 5 N2 3(G ) 1 O2 8(C ) 2 1 1 2.740 174.881 5 N6 4(A ) 1 O4 7(T ) 2 1 1 2.937 177.508 5 N6 5(A ) 1 O4 6(T ) 2 1 1 2.799 176.536 5 N3 6(T ) 1 N1 5(A ) 2 1 1 2.803 170.089 5 N3 7(T ) 1 N1 4(A ) 2 1 1 2.829 170.710 5 N4 8(C ) 1 O6 3(G ) 2 1 1 2.779 179.686 5 N1 9(G ) 1 N3 2(C ) 2 1 1 2.849 172.908 5 N2 9(G ) 1 O2 2(C ) 2 1 1 2.737 172.387 5 N4 10(C ) 1 O6 1(G ) 2 1 1 2.778 175.563 5 N1 1(G ) 2 N3 10(C ) 1 1 1 2.839 170.462 5 N2 1(G ) 2 O2 10(C ) 1 1 1 2.750 171.533 5 N4 2(C ) 2 O6 9(G ) 1 1 1 2.796 178.072 5 N1 3(G ) 2 N3 8(C ) 1 1 1 2.838 174.403 5 N2 3(G ) 2 O2 8(C ) 1 1 1 2.750 174.449 5 N6 4(A ) 2 O4 7(T ) 1 1 1 2.875 175.208 5 N6 5(A ) 2 O4 6(T ) 1 1 1 2.815 177.011 5 N3 6(T ) 2 N1 5(A ) 1 1 1 2.833 172.814 5 N3 7(T ) 2 N1 4(A ) 1 1 1 2.815 172.563 5 N4 8(C ) 2 O6 3(G ) 1 1 1 2.784 178.890 5 N1 9(G ) 2 N3 2(C ) 1 1 1 2.848 173.489 5 N2 9(G ) 2 O2 2(C ) 1 1 1 2.734 172.865 5 N4 10(C ) 2 O6 1(G ) 1 1 1 2.775 174.336 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, 1bwt_wc.csv] Trying to match bases to eachother for number of bases: 20 Considering number of hydrogen bonds: 26 Results contains number of sets of co-planar bases: 10 Results: Residue: 1( G) Mol: 1 Model: 1 Entry: 1 Residue: 10( C) Mol: 2 Model: 1 Entry: 1 Residue: 2( C) Mol: 1 Model: 1 Entry: 1 Residue: 9( G) Mol: 2 Model: 1 Entry: 1 Residue: 3( G) Mol: 1 Model: 1 Entry: 1 Residue: 8( C) Mol: 2 Model: 1 Entry: 1 Residue: 4( A) Mol: 1 Model: 1 Entry: 1 Residue: 7( T) Mol: 2 Model: 1 Entry: 1 Residue: 5( A) Mol: 1 Model: 1 Entry: 1 Residue: 6( T) Mol: 2 Model: 1 Entry: 1 Residue: 6( T) Mol: 1 Model: 1 Entry: 1 Residue: 5( A) Mol: 2 Model: 1 Entry: 1 Residue: 7( T) Mol: 1 Model: 1 Entry: 1 Residue: 4( A) Mol: 2 Model: 1 Entry: 1 Residue: 8( C) Mol: 1 Model: 1 Entry: 1 Residue: 3( G) Mol: 2 Model: 1 Entry: 1 Residue: 9( G) Mol: 1 Model: 1 Entry: 1 Residue: 2( C) Mol: 2 Model: 1 Entry: 1 Residue: 10( C) Mol: 1 Model: 1 Entry: 1 Residue: 1( G) Mol: 2 Model: 1 Entry: 1 Writing results to file: 1bwt_wc.csv Wattos started at: April 20, 2007 11:46:05 AM CDT Wattos stopped at: April 20, 2007 11:46:08 AM CDT Wattos took (#ms): 2622