Read libraries from system resource. Wattos started at: April 20, 2007 11:51:05 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/pdb1muv.ent, PDB] Read total number of atoms from PDB formatted coordinate list: 580 Tolerance (0.1 Angstrom suggested) Doing CalcBond with arguments: [0.1] Done. Checked number of potential pairs: 688 Found number of new bond candidates: 624 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: 28 Found number of new hydrogen bonds: 28 Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff O5* 1(G ) 1 O2P 2(G ) 1 1 1 2.827 168.780 5 N1 1(G ) 1 N3 8(C ) 2 1 1 2.944 165.298 5 N2 1(G ) 1 O2 8(C ) 2 1 1 2.865 168.830 5 N1 2(G ) 1 N3 7(C ) 2 1 1 2.988 173.425 5 N2 2(G ) 1 O2 7(C ) 2 1 1 2.870 176.102 5 N4 3(C ) 1 O6 6(G ) 2 1 1 2.947 168.699 5 O2* 4(A ) 1 O5* 5(A ) 1 1 1 3.015 158.322 5 O2* 4(A ) 1 O4* 5(A ) 1 1 1 3.030 121.445 5 N6 5(A ) 1 O2* 4(A ) 2 1 1 2.999 139.759 5 N6 5(A ) 1 N3 4(A ) 2 1 1 3.009 165.614 5 N1 6(G ) 1 N3 3(C ) 2 1 1 2.967 165.226 5 N2 6(G ) 1 O2 3(C ) 2 1 1 2.856 165.528 5 N4 7(C ) 1 O6 2(G ) 2 1 1 2.985 164.095 5 N4 8(C ) 1 O6 1(G ) 2 1 1 2.875 159.539 5 O5* 1(G ) 2 O2P 2(G ) 2 1 1 2.813 168.541 5 N1 1(G ) 2 N3 8(C ) 1 1 1 2.943 164.920 5 N2 1(G ) 2 O2 8(C ) 1 1 1 2.862 168.353 5 N1 2(G ) 2 N3 7(C ) 1 1 1 2.989 173.496 5 N2 2(G ) 2 O2 7(C ) 1 1 1 2.872 175.873 5 N4 3(C ) 2 O6 6(G ) 1 1 1 2.947 168.836 5 O2* 4(A ) 2 O5* 5(A ) 2 1 1 3.018 158.276 5 O2* 4(A ) 2 O4* 5(A ) 2 1 1 3.035 121.591 5 N6 5(A ) 2 O2* 4(A ) 1 1 1 2.997 139.834 5 N6 5(A ) 2 N3 4(A ) 1 1 1 3.010 165.621 5 N1 6(G ) 2 N3 3(C ) 1 1 1 2.966 165.065 5 N2 6(G ) 2 O2 3(C ) 1 1 1 2.855 165.459 5 N4 7(C ) 2 O6 2(G ) 1 1 1 2.984 164.194 5 N4 8(C ) 2 O6 1(G ) 1 1 1 2.874 159.624 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, 1muv_wc.csv] Trying to match bases to eachother for number of bases: 18 Considering number of hydrogen bonds: 28 Results contains number of sets of co-planar bases: 6 Results: Residue: 1( G) Mol: 1 Model: 1 Entry: 1 Residue: 8( C) Mol: 2 Model: 1 Entry: 1 Residue: 2( G) Mol: 1 Model: 1 Entry: 1 Residue: 7( C) Mol: 2 Model: 1 Entry: 1 Residue: 3( C) Mol: 1 Model: 1 Entry: 1 Residue: 6( G) Mol: 2 Model: 1 Entry: 1 Residue: 6( G) Mol: 1 Model: 1 Entry: 1 Residue: 3( C) Mol: 2 Model: 1 Entry: 1 Residue: 7( C) Mol: 1 Model: 1 Entry: 1 Residue: 2( G) Mol: 2 Model: 1 Entry: 1 Residue: 8( C) Mol: 1 Model: 1 Entry: 1 Residue: 1( G) Mol: 2 Model: 1 Entry: 1 Writing results to file: 1muv_wc.csv Wattos started at: April 20, 2007 11:51:05 AM CDT Wattos stopped at: April 20, 2007 11:51:08 AM CDT Wattos took (#ms): 3114