Read libraries from system resource. Wattos started at: January 19, 2007 10:19:58 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/pdb1un6.ent, PDB] Read total number of atoms from PDB formatted coordinate list: 4554 Tolerance (0.1 Angstrom suggested) Doing CalcBond with arguments: [0.1] Done. Checked number of potential pairs: 6095 Found number of new bond candidates: 4902 WARNING: Got no bonds for atoms: WARNING: Atom: MG Res: 4( MG) Mol: 6 Model: 1 Entry: 1 Atom: MG Res: 5( MG) Mol: 6 Model: 1 Entry: 1 Atom: MG Res: 6( MG) Mol: 6 Model: 1 Entry: 1 Atom: MG Res: 4( MG) Mol: 7 Model: 1 Entry: 1 Atom: MG Res: 5( MG) Mol: 7 Model: 1 Entry: 1 Atom: ZN Res: 2( ZN) Mol: 8 Model: 1 Entry: 1 Atom: MG Res: 1( MG) Mol: 9 Model: 1 Entry: 1 Atom: MG Res: 2( MG) Mol: 9 Model: 1 Entry: 1 Atom: MG Res: 1( MG) Mol: 10 Model: 1 Entry: 1 Atom: MG Res: 2( MG) Mol: 10 Model: 1 Entry: 1 Atom: MG Res: 3( MG) Mol: 10 Model: 1 Entry: 1 Atom: MG Res: 4( MG) Mol: 10 Model: 1 Entry: 1 Atom: MG Res: 5( MG) Mol: 10 Model: 1 Entry: 1 Atom: MG Res: 6( MG) Mol: 10 Model: 1 Entry: 1 Atom: O Res: 1( HOH) Mol: 11 Model: 1 Entry: 1 Atom: O Res: 2( HOH) Mol: 11 Model: 1 Entry: 1 Atom: O Res: 3( HOH) Mol: 11 Model: 1 Entry: 1 Atom: O Res: 4( HOH) Mol: 11 Model: 1 Entry: 1 Atom: O Res: 5( HOH) Mol: 11 Model: 1 Entry: 1 Atom: O Res: 6( HOH) Mol: 11 Model: 1 Entry: 1 Atom: O Res: 7( HOH) Mol: 11 Model: 1 Entry: 1 Atom: O Res: 8( HOH) Mol: 11 Model: 1 Entry: 1 Atom: O Res: 9( HOH) Mol: 11 Model: 1 Entry: 1 Atom: O Res: 1( HOH) Mol: 12 Model: 1 Entry: 1 Atom: O Res: 2( HOH) Mol: 12 Model: 1 Entry: 1 Atom: O Res: 3( HOH) Mol: 12 Model: 1 Entry: 1 Atom: O Res: 1( HOH) Mol: 13 Model: 1 Entry: 1 Atom: O Res: 2( HOH) Mol: 13 Model: 1 Entry: 1 Atom: O Res: 1( HOH) Mol: 14 Model: 1 Entry: 1 Atom: O Res: 1( HOH) Mol: 15 Model: 1 Entry: 1 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: 0 Found number of new hydrogen bonds: 0 Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff 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, 1un6_wc.csv] Trying to match bases to eachother for number of bases: 122 Considering number of hydrogen bonds: 0 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: 1un6_wc.csv Wattos started at: January 19, 2007 10:19:58 AM CST Wattos stopped at: January 19, 2007 10:20:01 AM CST Wattos took (#ms): 2772