Branch: rosetta:main 「revision: №62162」
Test: ubuntu.gcc.integration.addsan
SubTest: inv_kin_lig_loop_design
SubTest files: 「file-system-view」
Daemon: hojo-3    
State: inv_kin_lig_loop_design

LogFile log core.init: command: /work/murphp/src/mini/mini/bin/inv_kin_lig_loop_design.linuxgccrelease -database /work/murphp/src/minirosetta_database -in:file:extra_res_fa URA1.params -in:file:extra_res_fa HPY1.params -murphp:inv_kin_lig_loop_design_filename run.tag core.init: 'RNG device' seed mode, using '/dev/urandom', seed=-716077248 seed_offset=0 real_seed=-716077248 core.init.random: RandomGenerator:init: Normal mode, seed=-716077248 RG_type=mt19937 loop_design_filename=run.tag <loop_design> <io infile=bCD_UR1.pdb nstruct=1/> <param max_cycles=1 max_cycles_1mer=1 max_cycles_design=2 max_cycles_design_sm=1 max_cycles_design_sm_min=1 max_cycles_ramp=1 max_cycles_ramp_sm=1 max_cycles_ramp_sm_min=1 max_cycles_rand=1 max_cycles_rep=1 max_cycles_start=1 max_cycles_start_1mer=1 max_cycles_start_3mer=1 max_cycles_start_3mer_1mer=1 max_cycles_start_3mer_anchor=1/> <anchored_loop name=x nres_post=3 nres_pre=3 ss=LLLLLLL vary_post=2 vary_pre=2> <begin res_id=A:150/> <end res_id=A:156/> <from atom=O1 res_id=L:1/> <to atom=1HE2 res_type=GLN/> <hbond/> </anchored_loop> </loop_design> core.io.pose_io: read file: bCD_UR1.pdb core.io.pdb.file_data: build_pose... core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 11 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 37 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 52 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 53 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 57 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 70 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 142 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 152 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 160 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 181 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 273 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 287 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 315 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 318 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 377 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 390 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 406 core.conformation: [ WARNING ] missing heavyatom: NV on residue PRO 416 core.conformation: [ WARNING ] missing heavyatom: OXT on residue ARG_p:CtermProteinFull 423 core.io.pdb.file_data: original fold tree: FOLD_TREE EDGE 1 423 -1 EDGE 1 424 1 X X END core.io.pdb.file_data: core.io.pdb.file_data: new fold tree FOLD_TREE EDGE 1 423 -1 EDGE 1 424 1 X X END core.io.pdb.file_data: core.io.pdb.file_data: set fold tree: FOLD_TREE EDGE 1 423 -1 EDGE 1 424 1 X X END core.io.pdb.file_data: 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: /work/murphp/src/minirosetta_database/pdb_pair_stats_fine core.io.database: Database file opened: /work/murphp/src/minirosetta_database/P_AA core.io.database: Database file opened: /work/murphp/src/minirosetta_database/P_AA_n core.io.database: Database file opened: /work/murphp/src/minirosetta_database/P_AA_pp core.io.database: Database file opened: /work/murphp/src/minirosetta_database/Rama_smooth_dyn.dat_ss_6.4 core.scoring.dunbrack: Dunbrack flat file timestamp: 1204141746 binary timestamp: 1206579313 core.scoring.dunbrack: Reading Dunbrack library from binary file /work/murphp/src/minirosetta_database/bbdep02.May.sortlib.bin...done core.scoring.dunbrack: Dunbrack library took 0.07 seconds to load from binary core.pack.task: Packer task: initialize from command line() core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph core.pack.pack_rotamers: built 541 rotamers at 424 positions. core.pack.pack_rotamers: IG: 1323812 bytes core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 119.990 chino= 2 position: 27 SER SER core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 120.006 chino= 2 position: 39 THR THR core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 120.012 chino= 2 position: 42 SER SER core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 119.975 chino= 2 position: 64 THR THR core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 120.000 chino= 2 position: 66 THR THR core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 119.970 chino= 2 position: 104 THR THR core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 179.987 chino= 3 position: 189 TYR TYR core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 119.966 chino= 2 position: 225 THR THR core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 120.002 chino= 2 position: 245 THR THR core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 119.977 chino= 2 position: 256 SER SER core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 119.994 chino= 2 position: 301 SER SER core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 179.992 chino= 3 position: 340 TYR TYR core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 179.968 chino= 3 position: 393 TYR TYR core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 120.023 chino= 2 position: 409 THR THR core.io.pdb.file_data: [ OPT-H WARNING ] proton chi angle change: chidev= 179.993 chino= 3 position: 412 TYR TYR core.io.pdb.file_data: build_pose... Ok. protocols.jobdist.JobDistributors: Looking for an available job: 1 1 Starting xxx_0001 ... inv_kin_lig_loop_design::instantiating cloner InvKinLig:LoopDesign::set_nres - setting anchored_loop-x 3 => 3 InvKinLig:LoopDesign::set_nres - setting anchored_loop-x 3 => 3 InvKinLig:LoopDesign::set_nres - setting anchored_loop-x 2 => 2 InvKinLig:LoopDesign::set_nres - setting anchored_loop-x 2 => 2 after random options collapsed: <loop_design> <io infile=bCD_UR1.pdb nstruct=1/> <param max_cycles=1 max_cycles_1mer=1 max_cycles_design=2 max_cycles_design_sm=1 max_cycles_design_sm_min=1 max_cycles_ramp=1 max_cycles_ramp_sm=1 max_cycles_ramp_sm_min=1 max_cycles_rand=1 max_cycles_rep=1 max_cycles_start=1 max_cycles_start_1mer=1 max_cycles_start_3mer=1 max_cycles_start_3mer_1mer=1 max_cycles_start_3mer_anchor=1/> <anchored_loop name=x nres_post=3 nres_pre=3 ss=LLLLLLL vary_post=2 vary_pre=2> <begin res_id=A:150/> <end res_id=A:156/> <from atom=O1 res_id=L:1/> <to atom=1HE2 res_type=GLN/> <hbond/> </anchored_loop> </loop_design> inv_kin_lig_loop_design::cloning pose0 InvKinLigLoopDesign::Cloner:: number of indels = 1 InvKinLigLoopDesign: creating a pose of sequence: ALQTIINARLPGEEGLWQIHLQDGKISAIDAQSGVMPITENSLDAEQGLVIPPFVEPHIHLDTTQTAGQPNWNQSGTLFEGIERWAERKALLTHDDVKQRAWQTLKWQIANGIQHVRTHVDVSDATLTALKAMLEVKQEVAPWIDLQIV InvKinLigLoopDesign: creating a pose of sequence: AAAQAAA InvKinLigLoopDesign: creating a pose of sequence: ILSYPNGEALLEEALRLGADVVGAIPHFEFTREYGVESLHKTFALAQKYDRLIDVHCDEIDDEQSRFVETVAALAHHEGMGARVTASHTTAMHSYNGAYTSRLFRLLKMSGINFVANPLVNIHLQGRFDTYPKRRGITRVKEMLESGINVCFGHDDVFDPWYPLGTANMLQVLHMGLHVCQLMGYGQINDGLNLITHHSARTLNLQDYGIAAGNSANLIILPAENGFDALRRQVPVRYSVRGGKVIASTQPAQTTVYLEQPEAIDYKR InvKinLigLoopDesign: creating a pose of sequence: 1 core.chemical: make_variant: missing: OVR1 core.chemical: make_variant: missing: OVR2 core.chemical: make_variant: missing: OVR1 core.chemical: make_variant: missing: OVR1 core.chemical: make_variant: missing: OVR2 core.chemical: make_variant: missing: OVR1 inv_kin_lig_loop_design::dumping clone inv_kin_lig_loop_design::getting fold tree InvKinLigLoopDesign::Cloner::creating anchored loop jump edge InvKinLigLoopDesign::Cloner::jump edge: O1=4 1HE2=16 cout is allowable 425 4 get_jump_atom_for_hbond = 425 4=>4 cout is allowable 153 16 cout is allowable 153 9 cout is allowable 153 7 get_jump_atom_for_hbond = 153 16=>7 InvKinLigLoopDesign::Cloner::edge.has_atom_info() 1 start= O1 stop= CD InvKinLigLoopDesign::Cloner::jump between 425 153 InvKinLigLoopDesign::Cloner::edge between 150 425 InvKinLigLoopDesign::Cloner::edge between 425 156 InvKinLigLoopDesign::Cloner::jump between 149 157 InvKinLigLoopDesign::Cloner::before reorder: FOLD_TREE EDGE 1 149 -1 EDGE 425 153 1 O1 CD END EDGE 153 150 -1 EDGE 153 156 -1 EDGE 149 157 2 X X END EDGE 157 424 -1 EDGE 1 425 3 X X END InvKinLigLoopDesign::Cloner::reordering fold tree... InvKinLigLoopDesign::Cloner::after reorder: FOLD_TREE EDGE 1 149 -1 EDGE 149 157 2 X X END EDGE 157 424 -1 EDGE 1 425 3 X X END EDGE 425 153 1 O1 CD END EDGE 153 150 -1 EDGE 153 156 -1 FOLD_TREE EDGE 1 149 -1 EDGE 149 157 2 X X END EDGE 157 424 -1 EDGE 1 425 3 X X END EDGE 425 153 1 O1 CD END EDGE 153 150 -1 EDGE 153 156 -1 calling pose->fold_tree inv_kin_lig_loop_design::setting initial configuration InvKinLigLoopDesign::Cloner::setting jumpno 1 to initial value h2a=0 getting stub for 425 4 3 2 O1 C1 N1 getting stub for 153 16 9 7 1HE2 NE2 CD InvKinLigLoopDesign::Cloner::setting secondary structure of 150,156 to LLLLLLL InvKinLigLoopDesign::Cloner::secstruct= LLLEEELEEEELLLLEEEEEEELLLLLEEEEELEEEEEEELEEELLLEEEEEEEEELEEEHHHLLLLLLLEEELLLLHHHHHHHHHHHHHLLLHHHHHHHHHHHHHHHHHLLLLEEEEEEEEEELLLHHHHHHHHHHHHLHHHEEEEEELLLLLLLLLLLLLHHHHHHHHHHHLLLEEEEEHHHLLLHHHHHHHHHHHHHHHHHLLEEEEEEELEEEELLLLHHHHHHHHHHHLLLLLLEEEELLHHHHLLLHHHHHHHHHHHHHHLEEEEEEHHHHHHHLLLLLLEEEELLEEEHHHHHHLLEEEEEELLLLLLLLLLLLLLLHHHHHHHHHHHLLLLLHHHHHLHHHHLLHHHHHHLLLLLLLEEELEEEEEEEEEELLHHHHHHLLEEELEEEELLLLLEEEEEEEEEEELLEEEEELLLLL inv_kin_lig_loop_design::dumping clone with initial configuration inv_kin_lig_loop_design::creating protocol inv_kin_lig_loop_design::applying protocol Protocol::apply: running lo_res phase >>> StageI / start - Cycles: 0/1 >>> StageI / start / 3mer - inserting 3mers start_3mer: Cycles: 0/1 0/1 Mover::getFragmentFile - getting frag file 'L' for 150 Mover::getFragmentFile - getting frag file 'L' for 151 Mover::getFragmentFile - getting frag file 'L' for 152 Mover::getFragmentFile - getting frag file 'L' for 153 Mover::getFragmentFile - getting frag file 'L' for 154 Mover::getFragmentFile - getting frag file 'L' for 155 Mover::getFragmentFile - getting frag file 'L' for 156 Mover::getFragmentFile - getting frag file 'LLL' for 150 Fragment::getFragmentFile - trying to open 'ss_fragfiles/LLL.fragfile' Fragment::getFragmentFile - successfully opened 'ss_fragfiles/LLL.fragfile' Mover::getFragmentFile - getting frag file 'LLL' for 153 inserting a random rotamer into GLN:153 h2a=0 getting stub for 425 4 3 2 O1 C1 N1 getting stub for 153 16 9 7 1HE2 NE2 CD inserting a random rotamer into GLN:153 start_3mer_1mer: Cycles: 0/1 0/1 0/1 fa_rep rama fa_dun chainbreak 15749.835 17.532 820.480 172.723 >>> StageI / start / 1mer - inserting 1mers Stage I / start / 1mer Cycles: 0/1 0/1 fa_rep rama fa_dun chainbreak 15749.835 17.532 820.480 172.723 fa_rep rama fa_dun chainbreak 12599.072 5.493 825.316 0.641 fa_rep rama fa_dun chainbreak 12509.864 5.428 825.163 0.541 Protocol::apply: running hi_res_phase >>> Stage II / start / ramp - Cycles: 0/1 hi: 150 156 fdev=1.80426e-14 rdev=1.55198e-14 tdelta=4.26326e-13 rdelta=-5.55112e-15 fdev=0.0903911 rdev=0.474367 tdelta=4.49478 rdelta=0.0878507 >>> Stage II / start / ramp - Cycles: 1/1 hi: 150 156 fdev=4.46864e-14 rdev=1.38833e-14 tdelta=5.44453e-13 rdelta=1.15463e-14 fdev=0.0903947 rdev=0.474393 tdelta=4.49844 rdelta=0.0880236 Protocol::execute - DESIGN - starting cycle #0 / 2 calling pack_rotamers... core.pack.interaction_graph.interaction_graph_factory: Instantiating PDInteractionGraph core.pack.pack_rotamers: built 133 rotamers at 6 positions. core.pack.pack_rotamers: IG: 45852 bytes done calling pack_rotamers Protocol::execute - DESIGN - small moves + min after design cycle# 0 small moves + insertions into loop#0 Protocol::execute - DESIGN - starting cycle #1 / 2 calling pack_rotamers... core.pack.interaction_graph.interaction_graph_factory: Instantiating PDInteractionGraph core.pack.pack_rotamers: built 133 rotamers at 6 positions. core.pack.pack_rotamers: IG: 45852 bytes done calling pack_rotamers Protocol::execute - DESIGN - small moves + min after design cycle# 1 small moves + insertions into loop#0 Finished xxx_0001 in 6 seconds. protocols.jobdist.JobDistributors: Looking for an available job: 2 1 LogFile log_template ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** core.init: Rosetta extras: [] core.init: command: ROSETTA/source/bin/inv_kin_lig_loop_design.default.linuxgccaddsan -in:path:database_cache_dir ROSETTA/.database-binaries/ubuntugccaddsan -database ROSETTA/database @flags -murphp:inv_kin_lig_loop_design_filename run_template.tag -testing:INTEGRATION_TEST basic.random.init_random_generator: Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111111 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=1111111 RG_type=mt19937 loop_design_filename=run_template.tag <loop_design> <io infile="bCD_UR1.pdb" nstruct="1" output_prefix="ttt"/> <param max_cycles="1" max_cycles_1mer="1" max_cycles_design="2" max_cycles_design_sm="1" max_cycles_design_sm_min="1" max_cycles_ramp="1" max_cycles_ramp_sm="1" max_cycles_ramp_sm_min="1" max_cycles_rand="1" max_cycles_rep="1" max_cycles_start="1" max_cycles_start_1mer="1" max_cycles_start_3mer="1" max_cycles_start_3mer_1mer="1" max_cycles_start_3mer_anchor="1"/> <anchored_loop name="x" nres_post="3" nres_pre="3" ss="LLLLLLLL" vary_post="2" vary_pre="2"> <begin res_id="A:150"/> <end res_id="A:157"/> <from atom="O1" res_id="L:1"/> <to atom="1HE2" res_type="GLN"/> <template filename="bCD_UR1.pdb" from="L:1" to="A:153" to_atom="1HE2"/> </anchored_loop> </loop_design> core.import_pose.import_pose: File 'bCD_UR1.pdb' automatically determined to be of type PDB from contents. core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue ARG:CtermProteinFull 423 protocols.jobdist.JobDistributors: Looking for an available job: 1 1 ttt 1 Starting ttt_0001 ... inv_kin_lig_loop_design::instantiating cloner InvKinLig:LoopDesign::set_nres - setting anchored_loop-x 3 => 3 InvKinLig:LoopDesign::set_nres - setting anchored_loop-x 3 => 3 InvKinLig:LoopDesign::set_nres - setting anchored_loop-x 2 => 2 InvKinLig:LoopDesign::set_nres - setting anchored_loop-x 2 => 2 after random options collapsed: <loop_design> <io infile="bCD_UR1.pdb" nstruct="1" output_prefix="ttt"/> <param max_cycles="1" max_cycles_1mer="1" max_cycles_design="2" max_cycles_design_sm="1" max_cycles_design_sm_min="1" max_cycles_ramp="1" max_cycles_ramp_sm="1" max_cycles_ramp_sm_min="1" max_cycles_rand="1" max_cycles_rep="1" max_cycles_start="1" max_cycles_start_1mer="1" max_cycles_start_3mer="1" max_cycles_start_3mer_1mer="1" max_cycles_start_3mer_anchor="1"/> <anchored_loop name="x" nres_post="3" nres_pre="3" ss="LLLLLLLL" vary_post="2" vary_pre="2"> <begin res_id="A:150"/> <end res_id="A:157"/> <from atom="O1" res_id="L:1"/> <to atom="1HE2" res_type="GLN"/> <template filename="bCD_UR1.pdb" from="L:1" to="A:153" to_atom="1HE2"/> </anchored_loop> </loop_design> inv_kin_lig_loop_design::cloning pose0 InvKinLigLoopDesign::Cloner:: number of indels = 1 InvKinLigLoopDesign: creating a pose of sequence: ALQTIINARLPGEEGLWQIHLQDGKISAIDAQSGVMPITENSLDAEQGLVIPPFVEPHIHLDTTQTAGQPNWNQSGTLFEGIERWAERKALLTHDDVKQRAWQTLKWQIANGIQHVRTHVDVSDATLTALKAMLEVKQEVAPWIDLQIV InvKinLigLoopDesign: creating a pose of sequence: AAAQAAA InvKinLigLoopDesign: creating a pose of sequence: LSYPNGEALLEEALRLGADVVGAIPHFEFTREYGVESLHKTFALAQKYDRLIDVHCDEIDDEQSRFVETVAALAHHEGMGARVTASHTTAMHSYNGAYTSRLFRLLKMSGINFVANPLVNIHLQGRFDTYPKRRGITRVKEMLESGINVCFGHDDVFDPWYPLGTANMLQVLHMGLHVCQLMGYGQINDGLNLITHHSARTLNLQDYGIAAGNSANLIILPAENGFDALRRQVPVRYSVRGGKVIASTQPAQTTVYLEQPEAIDYKR InvKinLigLoopDesign: creating a pose of sequence: 1 inv_kin_lig_loop_design::dumping clone inv_kin_lig_loop_design::getting fold tree InvKinLigLoopDesign::Cloner::creating anchored loop jump edge cout is allowable 424 4 get_jump_atom_for_hbond = 424 4=>4 cout is allowable 153 16 cout is allowable 153 9 cout is allowable 153 7 get_jump_atom_for_hbond = 153 16=>7 InvKinLigLoopDesign::Cloner::jump edge: O1=4, O1 1HE2=16, CD InvKinLigLoopDesign::Cloner::edge.has_atom_info() 1 start= O1 stop= CD InvKinLigLoopDesign::Cloner::jump between 424 153 InvKinLigLoopDesign::Cloner::edge between 150 424 InvKinLigLoopDesign::Cloner::edge between 424 156 InvKinLigLoopDesign::Cloner::jump between 149 157 InvKinLigLoopDesign::Cloner::before reorder: FOLD_TREE EDGE 1 149 -1 JEDGE 424 153 1 O1 CD END EDGE 153 150 -1 EDGE 153 156 -1 EDGE 149 157 2 EDGE 157 423 -1 EDGE 1 424 3 InvKinLigLoopDesign::Cloner::reordering fold tree... InvKinLigLoopDesign::Cloner::after reorder: FOLD_TREE EDGE 1 149 -1 EDGE 149 157 2 EDGE 157 423 -1 EDGE 1 424 3 JEDGE 424 153 1 O1 CD END EDGE 153 150 -1 EDGE 153 156 -1 FOLD_TREE EDGE 1 149 -1 EDGE 149 157 2 EDGE 157 423 -1 EDGE 1 424 3 JEDGE 424 153 1 O1 CD END EDGE 153 150 -1 EDGE 153 156 -1 calling pose->fold_tree inv_kin_lig_loop_design::setting initial configuration InvKinLigLoopDesign::Cloner::setting jumpno 1 to initial value getting stub for 424 4 3 2 O1 C1 N1 getting stub for 153 16 9 7 1HE2 NE2 CD reading filename bCD_UR1.pdb core.import_pose.import_pose: File 'bCD_UR1.pdb' automatically determined to be of type PDB from contents. core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue ARG:CtermProteinFull 423 getting residues getting stub for 424 4 3 2 O1 C1 N1 getting stub for 153 16 9 7 1HE2 NE2 CD InvKinLigLoopDesign::Cloner::setting secondary structure of 150,156 to LLLLLLLL InvKinLigLoopDesign::Cloner::secstruct= LLLEEELEEEELLLLEEEEEEELLLLLEEEEELEEEEEEELEEELLLEEEEEEEEELEEEHHHLLLLLLLEEELLLLHHHHHHHHHHHHHLLLHHHHHHHHHHHHHHHHHLLLLEEEEEEEEEELLLHHHHHHHHHHHHLHHHEEEEEELLLLLLLLLLLLHHHHHHHHHHHLLLEEEEEHHHLLLHHHHHHHHHHHHHHHHHLLEEEEEEELEEEELLLLHHHHHHHHHHHLLLLLLEEEELLHHHHLLLHHHHHHHHHHHHHHLEEEEEEHHHHHHHLLLLLLEEEELLEEEHHHHHHLLEEEEEELLLLLLLLLLLLLLLHHHHHHHHHHHLLLLLHHHHHLHHHHLLHHHHHHLLLLLLLEEELEEEEEEEEEELLHHHHHHLLEEELEEEELLLLLEEEEEEEEEEELLEEEEELLLLL inv_kin_lig_loop_design::dumping clone with initial configuration inv_kin_lig_loop_design::creating protocol inv_kin_lig_loop_design::applying protocol