Read libraries from system resource. Wattos started at: January 19, 2007 10:16:56 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/pdb1ju7.ent, PDB] Read total number of atoms from PDB formatted coordinate list: 5060 Tolerance (0.1 Angstrom suggested) Doing CalcBond with arguments: [0.1] Done. Checked number of potential pairs: 642 Found number of new bond candidates: 543 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: 5 Found number of new hydrogen bonds: 5 Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N1 2(G ) 1 N3 15(C ) 1 1 1 2.741 145.375 5 O2* 3(C ) 1 O5* 4(C ) 1 1 1 2.362 126.347 5 O2* 5(C ) 1 O5* 6(U ) 1 1 1 2.393 157.711 5 N1 12(G ) 1 N3 5(C ) 1 1 1 3.168 151.905 5 N1 14(G ) 1 N3 3(C ) 1 1 1 3.326 171.755 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, 1ju7_wc.csv] Trying to match bases to eachother for number of bases: 16 Considering number of hydrogen bonds: 5 WARNING: requested less than 1 new rows in getNewRowIdList: 0 Results contains number of sets of co-planar bases: 0 Results: Writing results to file: 1ju7_wc.csv Wattos started at: January 19, 2007 10:16:56 AM CST Wattos stopped at: January 19, 2007 10:16:57 AM CST Wattos took (#ms): 965