core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.optimization.LineMinimizer: Inaccurate G! step= 3.8147e-008 Deriv= -42.3437 Finite Diff= 1.08794e+007
core.optimization.LineMinimizer: Inaccurate G! step= 9.53674e-009 Deriv= -42.3437 Finite Diff= 4.35177e+007
core.optimization.LineMinimizer: Inaccurate G! step= 2.38419e-009 Deriv= -42.3437 Finite Diff= 1.74071e+008
core.optimization.LineMinimizer: Inaccurate G! step= 5.96046e-010 Deriv= -42.3437 Finite Diff= 6.96285e+008
core.optimization.LineMinimizer: Inaccurate G! step= 1.49012e-010 Deriv= -42.3437 Finite Diff= 2.78514e+009
core.optimization.LineMinimizer: Inaccurate G! step= 3.72529e-011 Deriv= -42.3437 Finite Diff= 1.11406e+010
core.optimization.LineMinimizer: Inaccurate G! step= 9.31323e-012 Deriv= -42.3437 Finite Diff= 4.45622e+010
core.optimization.LineMinimizer: Inaccurate G! step= 2.32831e-012 Deriv= -42.3437 Finite Diff= 1.78249e+011
core.optimization.LineMinimizer: Inaccurate G! step= 5.82077e-013 Deriv= -42.3437 Finite Diff= 7.12995e+011
core.optimization.LineMinimizer: Inaccurate G! step= 1.45519e-013 Deriv= -42.3437 Finite Diff= 2.85198e+012
core.optimization.LineMinimizer: Inaccurate G! step= 3.63798e-014 Deriv= -42.3437 Finite Diff= 1.14079e+013
core.optimization.LineMinimizer: Inaccurate G! step= 9.09495e-015 Deriv= -42.3437 Finite Diff= 4.56317e+013
core.optimization.LineMinimizer: Inaccurate G! step= 2.27374e-015 Deriv= -42.3437 Finite Diff= 1.82527e+014
core.optimization.LineMinimizer: Inaccurate G! step= 5.68434e-016 Deriv= -42.3437 Finite Diff= 7.30107e+014
core.optimization.LineMinimizer: Inaccurate G! step= 1.42109e-016 Deriv= -42.3437 Finite Diff= 2.92043e+015
core.optimization.LineMinimizer: Inaccurate G! step= 3.55271e-017 Deriv= -42.3437 Finite Diff= 1.16817e+016
core.optimization.LineMinimizer: Inaccurate G! step= 8.88178e-018 Deriv= -42.3437 Finite Diff= 4.67269e+016
core.optimization.LineMinimizer: Inaccurate G! step= 2.22045e-018 Deriv= -42.3437 Finite Diff= 1.86907e+017
core.optimization.LineMinimizer: Inaccurate G! step= 5.55112e-019 Deriv= -42.3437 Finite Diff= 7.4763e+017
core.optimization.LineMinimizer: Inaccurate G! step= 1.38778e-019 Deriv= -42.3437 Finite Diff= 2.99052e+018
core.optimization.LineMinimizer: Inaccurate G! step= 3.46945e-020 Deriv= -42.3437 Finite Diff= 1.19621e+019
core.optimization.LineMinimizer: Inaccurate G! step= 8.67362e-021 Deriv= -42.3437 Finite Diff= 4.78483e+019
core.optimization.LineMinimizer: Inaccurate G! step= 2.1684e-021 Deriv= -42.3437 Finite Diff= 1.91393e+020
core.optimization.LineMinimizer: Inaccurate G! step= 5.42101e-022 Deriv= -42.3437 Finite Diff= 7.65573e+020
core.optimization.LineMinimizer: Inaccurate G! step= 1.35525e-022 Deriv= -42.3437 Finite Diff= 3.06229e+021
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
delta_score: 3088.02
Playing sound: 8
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
delta_score: 0
Playing sound: 4
***** ENDING THREAD ActionRebuild
Tool on_action_complete called
***** STARTING THREAD ActionRebuild
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.fragment.picking_old.vall.eval.IdentityEval: ss = LLL  |  aa = TFE
core.fragment.picking_old.vall.VallLibrarian: best fragment:   score = 0.000199047
core.fragment.picking_old.vall.VallLibrarian: worst fragment:  score = 2.00001
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
delta_score: -3309.02
Playing sound: 0
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
delta_score: 0
Playing sound: 4
***** ENDING THREAD ActionRebuild
Tool on_action_complete called
***** STARTING THREAD ActionRebuild
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.fragment.picking_old.vall.eval.IdentityEval: ss = LLL  |  aa = TFE
core.fragment.picking_old.vall.VallLibrarian: best fragment:   score = 0.000855278
core.fragment.picking_old.vall.VallLibrarian: worst fragment:  score = 2.00001
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.optimization.LineMinimizer: Inaccurate G! step= 3.8147e-006 Deriv= -0.49252 Finite Diff= 97405.9
core.optimization.LineMinimizer: Inaccurate G! step= 9.53674e-007 Deriv= -0.49252 Finite Diff= 389625
core.optimization.LineMinimizer: Inaccurate G! step= 2.38419e-007 Deriv= -0.49252 Finite Diff= 1.5585e+006
core.optimization.LineMinimizer: Inaccurate G! step= 5.96046e-008 Deriv= -0.49252 Finite Diff= 6.23401e+006
core.optimization.LineMinimizer: Inaccurate G! step= 1.49012e-008 Deriv= -0.49252 Finite Diff= 2.4936e+007
core.optimization.LineMinimizer: Inaccurate G! step= 3.72529e-009 Deriv= -0.49252 Finite Diff= 9.97441e+007
core.optimization.LineMinimizer: Inaccurate G! step= 9.31323e-010 Deriv= -0.49252 Finite Diff= 3.98976e+008
core.optimization.LineMinimizer: Inaccurate G! step= 2.32831e-010 Deriv= -0.49252 Finite Diff= 1.59591e+009
core.optimization.LineMinimizer: Inaccurate G! step= 5.82077e-011 Deriv= -0.49252 Finite Diff= 6.38362e+009
core.optimization.LineMinimizer: Inaccurate G! step= 1.45519e-011 Deriv= -0.49252 Finite Diff= 2.55345e+010
core.optimization.LineMinimizer: Inaccurate G! step= 3.63798e-012 Deriv= -0.49252 Finite Diff= 1.02138e+011
core.optimization.LineMinimizer: Inaccurate G! step= 9.09495e-013 Deriv= -0.49252 Finite Diff= 4.08552e+011
core.optimization.LineMinimizer: Inaccurate G! step= 2.27374e-013 Deriv= -0.49252 Finite Diff= 1.63421e+012
core.optimization.LineMinimizer: Inaccurate G! step= 5.68434e-014 Deriv= -0.49252 Finite Diff= 6.53683e+012
core.optimization.LineMinimizer: Inaccurate G! step= 1.42109e-014 Deriv= -0.49252 Finite Diff= 2.61473e+013
core.optimization.LineMinimizer: Inaccurate G! step= 3.55271e-015 Deriv= -0.49252 Finite Diff= 1.04589e+014
core.optimization.LineMinimizer: Inaccurate G! step= 8.88178e-016 Deriv= -0.49252 Finite Diff= 4.18357e+014
core.optimization.LineMinimizer: Inaccurate G! step= 2.22045e-016 Deriv= -0.49252 Finite Diff= 1.67343e+015
core.optimization.LineMinimizer: Inaccurate G! step= 5.55112e-017 Deriv= -0.49252 Finite Diff= 6.69371e+015
core.optimization.LineMinimizer: Inaccurate G! step= 1.38778e-017 Deriv= -0.49252 Finite Diff= 2.67749e+016
core.optimization.LineMinimizer: Inaccurate G! step= 3.46945e-018 Deriv= -0.49252 Finite Diff= 1.07099e+017
core.optimization.LineMinimizer: Inaccurate G! step= 8.67362e-019 Deriv= -0.49252 Finite Diff= 4.28398e+017
core.optimization.LineMinimizer: Inaccurate G! step= 2.1684e-019 Deriv= -0.49252 Finite Diff= 1.71359e+018
core.optimization.LineMinimizer: Inaccurate G! step= 5.42101e-020 Deriv= -0.49252 Finite Diff= 6.85436e+018
core.optimization.LineMinimizer: Inaccurate G! step= 1.35525e-020 Deriv= -0.49252 Finite Diff= 2.74174e+019
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.optimization.LineMinimizer: Inaccurate G! step= 0 Deriv= -0.49252 Finite Diff= 1.#INF
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
delta_score: 1051.65
Playing sound: 8
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
delta_score: 0
Playing sound: 4
***** ENDING THREAD ActionRebuild
Tool on_action_complete called
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
Tool on_action_complete called
Tool on_action_complete called
***** STARTING THREAD ActionRepack
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 428 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 285868 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 129 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 34624 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 432 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 312348 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 245 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 68680 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 171 rotamers at 10 positions.
Autosaved puzzles/0000996837/0000426239/gw10444/autosave.ir_solution.
Autosaved puzzles/0000996837/0000426239/gw10444/autosave-best.ir_solution.
Autosaved puzzles/0000996837/0000426239/gw10444/autosave-recentbest.ir_solution.
Autosaved puzzles/0000996837/0000426239/gw10444/autosave-creditbest.ir_solution.
core.pack.pack_rotamers: IG: 53752 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 298 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 119500 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 127 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 30140 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 313 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 153840 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 386 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 176724 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 203 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 57460 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 472 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 309280 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 209 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 70140 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 149 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 24184 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 384 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 151196 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 94 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 20700 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 270 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 108268 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 584 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 412752 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 467 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 311772 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 232 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 84044 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 172 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 42796 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 156 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 41112 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 311 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 164096 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 288 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 135568 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 482 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 340976 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 226 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 74936 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 191 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 48712 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 284 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 89160 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 333 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 169272 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 373 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 226360 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 339 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 164404 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 377 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 205100 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 573 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 473804 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 147 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 21292 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 127 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 33168 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 343 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 168916 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 248 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 88040 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 285 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 131592 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 495 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 263100 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 171 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 53752 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 103 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 23320 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 317 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 175208 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 146 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 39632 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 458 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 335452 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 295 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 101180 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 427 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 276160 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 266 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 88024 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 283 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 138320 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 537 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 478472 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 150 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 43428 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 191 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 48712 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 433 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 258692 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 183 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 48696 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 584 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 421388 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 112 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 26060 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 428 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 285868 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 209 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 70140 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 499 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 249000 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 159 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 44224 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 124 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 32264 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 446 rotamers at 10 positions.
Sending SOPs:

core.pack.pack_rotamers: IG: 309844 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 157 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 42776 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 245 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 69252 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 153 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 19764 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 244 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 87796 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 134 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 16532 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 129 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 34624 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 232 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 84044 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 456 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 297444 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 258 rotamers at 10 positions.
core.pack.pack_rotamers: IG: 87908 bytes
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
delta_score: 3544.14
Playing sound: 8
***** ENDING THREAD ActionRepack
Tool on_action_complete called
***** STARTING THREAD ActionGlobalMinimize
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (186)

UNHANDLED EXCEPTION
  1: RaiseException +89 bytes (no line)
  2: library_main +33293493 bytes (no line)
  3: library_main +33293420 bytes (no line)
  4: library_main +8198938 bytes (no line)
  5: library_main +21941145 bytes (no line)
  6: library_main +21955969 bytes (no line)
  7: library_main +21166400 bytes (no line)
  8: library_main +21163872 bytes (no line)
  9: library_main +6786273 bytes (no line)
 10: library_main +6450989 bytes (no line)
 11: library_main +6783078 bytes (no line)
 12: library_main +4671358 bytes (no line)
 13: library_main +4674502 bytes (no line)
 14: BaseThreadInitThunk +14 bytes (no line)
 15: RtlCreateUserProcess +140 bytes (no line)
 16: RtlCreateProcessParameters +78 bytes (no line)