Reply To: high resolution protein docking doesn’t work

Member Site › Forums › Rosetta 3 › Rosetta 3 – General › high resolution protein docking doesn’t work › Reply To: high resolution protein docking doesn’t work

December 12, 2010 at 8:39 am #4738
Anonymous

    BTW, even I use one CPU to run(command: docking_protocol.linuxgccrelease @flags2 > docking2.log&), it still doesn’t work. all atoms positions are the same. Here is the log:

    core.init: command: docking_protocol.linuxgccrelease @flags2
    core.init: ‘RNG device’ seed mode, using ‘/dev/urandom’, seed=-1273310667 seed_offset=0 real_seed=-1273310667
    core.init.random: RandomGenerator:init: Normal mode, seed=-1273310667 RG_type=mt19937
    core.io.database: Database file opened: /soft/rosetta3.1/database/env_log.txt
    core.io.database: Database file opened: /soft/rosetta3.1/database/cbeta_den.txt
    core.io.database: Database file opened: /soft/rosetta3.1/database/pair_log.txt
    core.io.database: Database file opened: /soft/rosetta3.1/database/cenpack_log.txt
    core.io.database: Database file opened: /soft/rosetta3.1/database/interchain_env_log.txt
    core.io.database: Database file opened: /soft/rosetta3.1/database/interchain_pair_log.txt
    core.scoring.etable: Starting energy table calculation
    core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well
    core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
    core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
    core.scoring.etable: Finished calculating energy tables.
    core.io.database: Database file opened: /soft/rosetta3.1/database/pdb_pair_stats_fine
    core.io.database: Database file opened: /soft/rosetta3.1/database/P_AA
    core.io.database: Database file opened: /soft/rosetta3.1/database/P_AA_n
    core.io.database: Database file opened: /soft/rosetta3.1/database/P_AA_pp
    core.options: option[ out::file::fullatom ]() re-interpreted as setting option[ out::file::residue_type_set ]() to fa_standard
    core.init: command: docking_protocol.linuxgccrelease @flags2
    core.init: ‘RNG device’ seed mode, using ‘/dev/urandom’, seed=455037431 seed_offset=0 real_seed=455037431
    core.init.random: RandomGenerator:init: Normal mode, seed=455037431 RG_type=mt19937
    protocols.jobdist.JobDistributors: Looking for an available job: 1 1 relax.pdb 1
    protocols.jobdist.main: Starting relax_0001 …
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    protocols.docking.DockingProtocol: Setting docking foldtree
    protocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 228 -1 EDGE 1 229 1 EDGE 229 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 85 -1 EDGE 85 228 -1 EDGE 85 360 1 EDGE 360 229 -1 EDGE 360 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingHighRes: in DockingHighRes.apply
    Warning: Unable to locate database file Dunbrack02.lib.bin
    core.scoring.dunbrack: Dunbrack library took 2.63 seconds to load from ASCII
    Warning: Unable to locate database file Dunbrack02.lib.bin
    Warning: Unable to locate database file Dunbrack02.lib.bin
    core.scoring.dunbrack: Opening file /tmp/dun02GOfmrM for output.
    core.scoring.dunbrack: Moving temporary file to /soft/rosetta3.1/database/Dunbrack02.lib.bin
    protocols.docking.DockingHighRes: ::::::::::::::::::DOCK_MCM:::::::::::::::::::
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210980 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210980 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 209004 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 209004 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.jobdist.main: Finished relax_0001 in 26 seconds.
    protocols.jobdist.JobDistributors: Looking for an available job: 2 1 relax.pdb 2
    protocols.jobdist.main: Starting relax_0002 …
    protocols.docking.DockingProtocol: Setting docking foldtree
    protocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 228 -1 EDGE 1 229 1 EDGE 229 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 85 -1 EDGE 85 228 -1 EDGE 85 360 1 EDGE 360 229 -1 EDGE 360 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingHighRes: in DockingHighRes.apply
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 405 rotamers at 47 positions.
    core.pack.pack_rotamers: IG: 189636 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 425 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 199752 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 425 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 199752 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 425 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 199752 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 433 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 208748 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 433 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 208748 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.jobdist.main: Finished relax_0002 in 21 seconds.
    protocols.jobdist.JobDistributors: Looking for an available job: 3 1 relax.pdb 3
    protocols.jobdist.main: Starting relax_0003 …
    protocols.docking.DockingProtocol: Setting docking foldtree
    protocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 228 -1 EDGE 1 229 1 EDGE 229 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 85 -1 EDGE 85 228 -1 EDGE 85 360 1 EDGE 360 229 -1 EDGE 360 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingHighRes: in DockingHighRes.apply
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 405 rotamers at 47 positions.
    core.pack.pack_rotamers: IG: 189636 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210876 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210876 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.jobdist.main: Finished relax_0003 in 20 seconds.
    protocols.jobdist.JobDistributors: Looking for an available job: 4 1 relax.pdb 4
    protocols.jobdist.main: Starting relax_0004 …
    protocols.docking.DockingProtocol: Setting docking foldtree
    protocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 228 -1 EDGE 1 229 1 EDGE 229 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 85 -1 EDGE 85 228 -1 EDGE 85 360 1 EDGE 360 229 -1 EDGE 360 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingHighRes: in DockingHighRes.apply
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 405 rotamers at 47 positions.
    core.pack.pack_rotamers: IG: 189636 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 425 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 199752 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 425 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 199752 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 407 rotamers at 45 positions.
    core.pack.pack_rotamers: IG: 179016 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 431 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 209876 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 431 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 209876 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.jobdist.main: Finished relax_0004 in 22 seconds.
    protocols.jobdist.JobDistributors: Looking for an available job: 5 1 relax.pdb 5
    protocols.jobdist.main: Starting relax_0005 …
    protocols.docking.DockingProtocol: Setting docking foldtree
    protocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 228 -1 EDGE 1 229 1 EDGE 229 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 85 -1 EDGE 85 228 -1 EDGE 85 360 1 EDGE 360 229 -1 EDGE 360 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingHighRes: in DockingHighRes.apply
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 405 rotamers at 47 positions.
    core.pack.pack_rotamers: IG: 189636 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.jobdist.main: Finished relax_0005 in 19 seconds.
    protocols.jobdist.JobDistributors: Looking for an available job: 6 1 relax.pdb 6
    protocols.jobdist.main: Starting relax_0006 …
    protocols.docking.DockingProtocol: Setting docking foldtree
    protocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 228 -1 EDGE 1 229 1 EDGE 229 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 85 -1 EDGE 85 228 -1 EDGE 85 360 1 EDGE 360 229 -1 EDGE 360 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingHighRes: in DockingHighRes.apply
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 405 rotamers at 47 positions.
    core.pack.pack_rotamers: IG: 189636 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 435 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 211256 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 435 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 211256 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 435 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 211256 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 435 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 211256 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 435 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 211256 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.jobdist.main: Finished relax_0006 in 22 seconds.
    protocols.jobdist.JobDistributors: Looking for an available job: 7 1 relax.pdb 7
    protocols.jobdist.main: Starting relax_0007 …
    protocols.docking.DockingProtocol: Setting docking foldtree
    protocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 228 -1 EDGE 1 229 1 EDGE 229 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 85 -1 EDGE 85 228 -1 EDGE 85 360 1 EDGE 360 229 -1 EDGE 360 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingHighRes: in DockingHighRes.apply
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 405 rotamers at 47 positions.
    core.pack.pack_rotamers: IG: 189636 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210852 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210852 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210852 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 426 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 200184 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.jobdist.main: Finished relax_0007 in 21 seconds.
    protocols.jobdist.JobDistributors: Looking for an available job: 8 1 relax.pdb 8
    protocols.jobdist.main: Starting relax_0008 …
    protocols.docking.DockingProtocol: Setting docking foldtree
    protocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 228 -1 EDGE 1 229 1 EDGE 229 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 85 -1 EDGE 85 228 -1 EDGE 85 360 1 EDGE 360 229 -1 EDGE 360 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingHighRes: in DockingHighRes.apply
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 405 rotamers at 47 positions.
    core.pack.pack_rotamers: IG: 189636 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 425 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 199624 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 425 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 199624 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 425 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 199624 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 425 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 199624 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 425 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 199624 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 425 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 199624 bytes
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.jobdist.main: Finished relax_0008 in 19 seconds.
    protocols.jobdist.JobDistributors: Looking for an available job: 9 1 relax.pdb 9
    protocols.jobdist.main: Starting relax_0009 …
    protocols.docking.DockingProtocol: Setting docking foldtree
    protocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 228 -1 EDGE 1 229 1 EDGE 229 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 85 -1 EDGE 85 228 -1 EDGE 85 360 1 EDGE 360 229 -1 EDGE 360 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingHighRes: in DockingHighRes.apply
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 405 rotamers at 47 positions.
    core.pack.pack_rotamers: IG: 189636 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210952 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 434 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 210832 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 438 rotamers at 52 positions.
    core.pack.pack_rotamers: IG: 212860 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 435 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 211256 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.jobdist.main: Finished relax_0009 in 21 seconds.
    protocols.jobdist.JobDistributors: Looking for an available job: 10 1 relax.pdb 10
    protocols.jobdist.main: Starting relax_0010 …
    protocols.docking.DockingProtocol: Setting docking foldtree
    protocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 228 -1 EDGE 1 229 1 EDGE 229 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 85 -1 EDGE 85 228 -1 EDGE 85 360 1 EDGE 360 229 -1 EDGE 360 402 -1
    protocols.docking.DockingProtocol:
    protocols.docking.DockingHighRes: in DockingHighRes.apply
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 405 rotamers at 47 positions.
    core.pack.pack_rotamers: IG: 189636 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 424 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 197440 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 424 rotamers at 50 positions.
    core.pack.pack_rotamers: IG: 197440 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 435 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 209456 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 435 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 209456 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 435 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 209456 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
    core.pack.pack_rotamers: built 435 rotamers at 51 positions.
    core.pack.pack_rotamers: IG: 209456 bytes
    core.pack.task: Packer task: initialize from command line()
    core.pack.task: Packer task: initialize from command line()
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 31.1896 4.39459 17.4186
    protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.0542331 0.444298 -0.894236 0.896892 -0.371974 -0.239208 -0.438912 -0.815006 -0.378314 894.449 145.051 502.186
    protocols.jobdist.main: Finished relax_0010 in 20 seconds.
    protocols.jobdist.main: Finished all 10 structures in 213 seconds.
    Done!