args passed: 'C:\Foldit64\Fold7\Foldit.exe' args used: 'C:\Foldit64\Fold7\Foldit.exe' '-resources' 'cmp-resources-2eef38e6ee152935304bce03020ae9d9/resources' '-database' 'cmp-database-9cc626267aa5f6df9bcb5f94584712fd/database' '-interactive_game' 'novice' '-interactive:interactive_residue_types' '-ignore_unrecognized_res' '-ignore_zero_occupancy' 'false' '-in::use_truncated_termini' '-out:levels' 'all:warning' 'interactive:info' 'standalone:info' 'game:info' '-out:no_color' '-load_PDB_components' 'false' interactive.util.options_dict: {0} Loading options file standalone.application.StandaloneViewPresetList: {0} StandaloneViewPresetList->load_preset_files(): successfully loaded view preset files standalone.application.StandaloneViewPresetList: {0} StandaloneViewPresetList->load_preset_files(): successfully loaded view preset files game.application.GameApplication: {0} Initializing interactive.sound/SoundTheme: {0} SoundTheme::load: cmp-resources-2eef38e6ee152935304bce03020ae9d9\resources\sounds/organic_01 interactive.sound/SoundTheme: {0} loading: cmp-resources-2eef38e6ee152935304bce03020ae9d9\resources\sounds/organic_01/rotamer_land_00.ogg interactive.sound/SoundTheme: {0} loading: cmp-resources-2eef38e6ee152935304bce03020ae9d9\resources\sounds/organic_01/rotamer_land_01.ogg interactive.sound/SoundTheme: {0} loading: cmp-resources-2eef38e6ee152935304bce03020ae9d9\resources\sounds/organic_01/rotamer_land_02.ogg interactive.sound/SoundTheme: {0} loading: cmp-resources-2eef38e6ee152935304bce03020ae9d9\resources\sounds/organic_01/rotamer_land_03.ogg interactive.sound/SoundTheme: {0} loading: cmp-resources-2eef38e6ee152935304bce03020ae9d9\resources\sounds/organic_01/rotamer_land_04.ogg interactive.sound/SoundTheme: {0} loading: cmp-resources-2eef38e6ee152935304bce03020ae9d9\resources\sounds/organic_01/rotamer_land_05.ogg standalone.application.StandaloneApplication: {0} (@init_machine_log)intro_level_version_ is 0 interactive.util.options_dict: {0} We're loading in the hotkeys interactive.util.options_dict: {0} We loaded in the hotkeys interactive.rosetta_util.ExposedHydrophobicsCalculator: {0} SVM classifier successfully loaded interactive.rosetta_util.ExposedHydrophobicsCalculator: {0} Feature list successfully loaded interactive.rosetta_util.ExposedHydrophobicsCalculator: {0} Valid classifier feature list interactive.remote.RemoteThread: {0} REMOTE Local Address: 192.168.1.131 standalone.application.StandaloneApplication: {0} about to create view_options_button_ interactive.application.shared.ToolApplication: {0} setting side chain mode to: 2 Show All (Slow) interactive.remote.RemoteDialog: {0} Found remote enable option: 0 game.application.AlphaFoldDialog: {0} POS UDim< rel:0 abs:345 self:0 >:UDim< rel:0 abs:-6 self:0 > game.application.server.Updater: {0} checking updates... game.application.server.CurlFetcher: {0} https://fold.it/api/get_update_components game.application.server.Updater: {0} binary game.application.server.Updater: {0} local: '9f680abd0575afd06cc2094bb71bc050' game.application.server.Updater: {0} remote: '9f680abd0575afd06cc2094bb71bc050' game.application.server.Updater: {0} database game.application.server.Updater: {0} local: '9cc626267aa5f6df9bcb5f94584712fd' game.application.server.Updater: {0} remote: '9cc626267aa5f6df9bcb5f94584712fd' game.application.server.Updater: {0} resources game.application.server.Updater: {0} local: '2eef38e6ee152935304bce03020ae9d9' game.application.server.Updater: {0} remote: '2eef38e6ee152935304bce03020ae9d9' game.application.server.Updater: {0} cleaning up old components: game.application.server.Updater: {0} binary 9f680abd0575afd06cc2094bb71bc050 game.application.server.Updater: {0} database 9cc626267aa5f6df9bcb5f94584712fd game.application.server.Updater: {0} resources 2eef38e6ee152935304bce03020ae9d9 game.application.server.CurlFetcher: {0} https://fold.it/api/get_news standalone.application.StandaloneApplication: {0} Show splash! standalone.application.StandaloneApplication: {0} Playing: sounds/organic_01/splashscreen.ogg standalone.application.StandaloneApplication: {0} Converting any old-style quicksaves and autosaves... standalone.application.GeneralOptionsPanel: {0} buildid: V25-20230512-8ec99fe478-win_x64 game.application.GameApplication: {0} Ended pre-login init game.application.server.CurlFetcher: {0} https://fold.it/api/get_user_info game.application.GameApplication: {0} Logged in with player ID: 476462 game.application.server.CurlFetcher: {0} https://fold.it/api/get_user_info game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzles standalone.application.boinc.Puzzle: {0} .ocmdline d0c38b589470b99976db250c17c71d3d standalone.application.boinc.Puzzle: {0} .ofilters eb8c2fc8a467c4cf237618a29c45f665 standalone.application.boinc.Puzzle: {0} .opdb a7916996dc6adb777c51f4c4a575fa84 standalone.application.boinc.Puzzle: {0} .opuzzle_setup eddf1be56eb7d97f3a0ce625e923bff7 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb cd7ce34bddf6ff589dd3c2980eb4dbc3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 43150cd6f2eb45e569efa1bfe4d34f75 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .sf db3e57ac6e1baf75c3e9488e44dc0c27 standalone.application.boinc.Puzzle: {0} .ocmdline e14ffdcac91bac948806a2ff7ed87ea4 standalone.application.boinc.Puzzle: {0} .opdb baf2b55ed9d608eccf6b6b91dac460d3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 55ebdc3066184544e214ab59b3e564d6 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .sym 9416a20b4855d4d4b0754de653e7dd55 standalone.application.boinc.Puzzle: {0} .ocmdline 9213d67f559515a2b1c07bd45bdb7cf9 standalone.application.boinc.Puzzle: {0} .ocnstr adee7993ef58481848b77be273ca0301 standalone.application.boinc.Puzzle: {0} .ofilters 7ac1df082f19ea354c52ff327c3f8072 standalone.application.boinc.Puzzle: {0} .opdb 16436660143808fe77ad2b2d3c6db17b standalone.application.boinc.Puzzle: {0} .opuzzle_setup 63dc36329331e9ebb264d652e4aa7668 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb 2cb8ff8457d30a4bf7f2ba9e4df53760 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 9090234d1eabcc31aeb31cc118fa57e2 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .odensity e1b86f0550a04e66e0be5ffdcbf92a0b standalone.application.boinc.Puzzle: {0} .opdb 17f27e3f3a7f9c7a4f1b6adea9855ef2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup beba35efb5c3dc08b28f827c509250d8 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .opdb 422ffe0f884768bfba27150c5da1fa4e standalone.application.boinc.Puzzle: {0} .opuzzle_setup 08586216d9939ed1b557037a98b94cc2 standalone.application.boinc.Puzzle: {0} .owts 5b16284e5e5e4f85b6793eba788a0ce0 standalone.application.boinc.Puzzle: {0} .ofilters 51cc7c463827adfeabbf28f028dbc40e standalone.application.boinc.Puzzle: {0} .opdb 5c1466758b5afcebde9357f02a2277a2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup b01cebc591e0b44ec7ded089c6c2ffd5 standalone.application.boinc.Puzzle: {0} .osmiles_queue c0d3e3b55e81a4dffbb7a2930cf25b4b standalone.application.boinc.Puzzle: {0} .owts b4fb927e049837a8d522d1bf29e015ee standalone.application.boinc.Puzzle: {0} .params 84bf224d12c208e9c004d0ae09e5893d game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzles standalone.application.boinc.Puzzle: {0} .ocmdline d0c38b589470b99976db250c17c71d3d standalone.application.boinc.Puzzle: {0} .ofilters eb8c2fc8a467c4cf237618a29c45f665 standalone.application.boinc.Puzzle: {0} .opdb a7916996dc6adb777c51f4c4a575fa84 standalone.application.boinc.Puzzle: {0} .opuzzle_setup eddf1be56eb7d97f3a0ce625e923bff7 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb cd7ce34bddf6ff589dd3c2980eb4dbc3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 43150cd6f2eb45e569efa1bfe4d34f75 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .sf db3e57ac6e1baf75c3e9488e44dc0c27 standalone.application.boinc.Puzzle: {0} .ocmdline e14ffdcac91bac948806a2ff7ed87ea4 standalone.application.boinc.Puzzle: {0} .opdb baf2b55ed9d608eccf6b6b91dac460d3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 55ebdc3066184544e214ab59b3e564d6 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .sym 9416a20b4855d4d4b0754de653e7dd55 standalone.application.boinc.Puzzle: {0} .ocmdline 9213d67f559515a2b1c07bd45bdb7cf9 standalone.application.boinc.Puzzle: {0} .ocnstr adee7993ef58481848b77be273ca0301 standalone.application.boinc.Puzzle: {0} .ofilters 7ac1df082f19ea354c52ff327c3f8072 standalone.application.boinc.Puzzle: {0} .opdb 16436660143808fe77ad2b2d3c6db17b standalone.application.boinc.Puzzle: {0} .opuzzle_setup 63dc36329331e9ebb264d652e4aa7668 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb 2cb8ff8457d30a4bf7f2ba9e4df53760 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 9090234d1eabcc31aeb31cc118fa57e2 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .odensity e1b86f0550a04e66e0be5ffdcbf92a0b standalone.application.boinc.Puzzle: {0} .opdb 17f27e3f3a7f9c7a4f1b6adea9855ef2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup beba35efb5c3dc08b28f827c509250d8 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .opdb 422ffe0f884768bfba27150c5da1fa4e standalone.application.boinc.Puzzle: {0} .opuzzle_setup 08586216d9939ed1b557037a98b94cc2 standalone.application.boinc.Puzzle: {0} .owts 5b16284e5e5e4f85b6793eba788a0ce0 standalone.application.boinc.Puzzle: {0} .ofilters 51cc7c463827adfeabbf28f028dbc40e standalone.application.boinc.Puzzle: {0} .opdb 5c1466758b5afcebde9357f02a2277a2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup b01cebc591e0b44ec7ded089c6c2ffd5 standalone.application.boinc.Puzzle: {0} .osmiles_queue c0d3e3b55e81a4dffbb7a2930cf25b4b standalone.application.boinc.Puzzle: {0} .owts b4fb927e049837a8d522d1bf29e015ee standalone.application.boinc.Puzzle: {0} .params 84bf224d12c208e9c004d0ae09e5893d standalone.application.intro.level_util: {0} JM level version = 0 standalone.application.intro.level_util: {0} Using file: cmp-resources-2eef38e6ee152935304bce03020ae9d9\resources\levels/campaign_2020.intros standalone.application.intro.level_util: {0} Using file: cmp-resources-2eef38e6ee152935304bce03020ae9d9\resources\levels/educational_puzzles.intros standalone.application.intro.level_util: {0} Using file: cmp-resources-2eef38e6ee152935304bce03020ae9d9\resources\levels/endless_puzzles.intros game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_completions interactive.util.options_dict: {0} Saving options file game.application.GameApplication: {0} bad file checksums, refreshing from server... game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle standalone.application.boinc.Puzzle: {0} .ofilters 51cc7c463827adfeabbf28f028dbc40e standalone.application.boinc.Puzzle: {0} .opdb 5c1466758b5afcebde9357f02a2277a2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup b01cebc591e0b44ec7ded089c6c2ffd5 standalone.application.boinc.Puzzle: {0} .osmiles_queue c0d3e3b55e81a4dffbb7a2930cf25b4b standalone.application.boinc.Puzzle: {0} .owts b4fb927e049837a8d522d1bf29e015ee standalone.application.boinc.Puzzle: {0} .params 7ad2f2e393cc8d9272da9e84baa73148 standalone.application.boinc.Puzzle: {0} has key .owts standalone.application.boinc.Puzzle: {0} has key .params standalone.application.boinc.Puzzle: {0} has key .opdb standalone.application.boinc.Puzzle: {0} has key .opuzzle_setup standalone.application.boinc.Puzzle: {0} has key .ofilters standalone.application.boinc.Puzzle: {0} has key .osmiles_queue interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} This software uses the Torsion Library jointly developed by the University of Hamburg, Center for Bioinformatics, Hamburg, Germany and F. Hoffmann-La-Roche Ltd., Basel, Switzerland. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [CX4:1][CX4H2:2]!@[NX3;"N_lp":3][CX4:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [C:1][CX4H2:2]!@[NX3;"N_lp":3][C:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [C:1][CX4:2]!@[NX3;"N_lp":3][C:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][CX4H2:2]!@[NX3H1;"N_lp":3][!#1:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][CX4H2:2]!@[NX3;"N_lp":3][!#1:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][CX4:2]!@[NX3;"N_lp":3] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][CX4:2]!@[NX3;"N_lp":3][!#1:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][$(S(=O)=O):2]!@["N_lp":3]@[Cr3] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [C:1][$(S(=O)=O):2]!@["N_lp":3] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [c:1][$(S(=O)=O):2]!@["N_lp":3] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][$(S(=O)=O):2]!@["N_lp":3] due to presence of N_lp rule. standalone.application.boinc.Puzzle: {0} starting score : -506.252 standalone.application.boinc.Puzzle: {0} puzzle loaded game.application.GameApplication: {0} Loading puzzle 2013719 interactive.application.actions.loop_hash_utils: {0} building library...interactive.application.actions.loop_hash_utils: {0} done. standalone.application.StandaloneApplication: {0} conditions are enabled standalone.application.TitlePanel: {0} TitlePanel new session standalone.application.ScorePanel: {0} ScorePanel new session standalone.application.ViewOptionsPanelButton: {0} ViewOptionsPanelButton new session standalone.application.HelpPanelButton: {0} HelpPanelButton new session standalone.application.ActionOptionsPanelButton: {0} ActionOptionsPanelButton new session standalone.application.UndoPanelButton: {0} UndoPanelButton new session standalone.application.CookbookPanelButton: {0} CookbookPanelButton new session standalone.application.HamburgerPanelButton: {0} HamburgerPanelButton new session interactive.application.appposeview.ElectronDensityGeom: {0} clear density... game.application.server.PrereleaseDialog: {0} PHASE PRE? : 0 game.application.server.PrereleaseDialog: {0} Normal game.application.server.PrereleaseDialog: {0} PreRelease game.application.server.CurlFetcher: {0} https://fold.it/api/get_solutions game.application.server.CurlFetcher: {0} https://fold.it/api/get_recipes game.application.GameApplication: {0} GROUP CHAT CHANNEL: AnthropicDreams game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/get_irc_server game.application.GameApplication: {0} BOINC says connect to: irc.fold.it:6667 game.application.GameApplication: {0} Using nick: LociOiling game.util.IRC: {0} IRC::disconnect game.util.IRC: {0} IRC::connect game.application.GameApplication: {0} Ended Initialization of GameApplication game.util.IRC: {0} IRC::connect connecting game.util.IRC: {0} Entering IRC::run game.util.IRC: {0} IRC::run recv error game.util.IRC: {0} Exiting IRC::run game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzles standalone.application.boinc.Puzzle: {0} .ocmdline d0c38b589470b99976db250c17c71d3d standalone.application.boinc.Puzzle: {0} .ofilters eb8c2fc8a467c4cf237618a29c45f665 standalone.application.boinc.Puzzle: {0} .opdb a7916996dc6adb777c51f4c4a575fa84 standalone.application.boinc.Puzzle: {0} .opuzzle_setup eddf1be56eb7d97f3a0ce625e923bff7 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb cd7ce34bddf6ff589dd3c2980eb4dbc3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 43150cd6f2eb45e569efa1bfe4d34f75 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .sf db3e57ac6e1baf75c3e9488e44dc0c27 standalone.application.boinc.Puzzle: {0} .ocmdline e14ffdcac91bac948806a2ff7ed87ea4 standalone.application.boinc.Puzzle: {0} .opdb baf2b55ed9d608eccf6b6b91dac460d3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 55ebdc3066184544e214ab59b3e564d6 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .sym 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eb8c2fc8a467c4cf237618a29c45f665 standalone.application.boinc.Puzzle: {0} .opdb a7916996dc6adb777c51f4c4a575fa84 standalone.application.boinc.Puzzle: {0} .opuzzle_setup eddf1be56eb7d97f3a0ce625e923bff7 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb cd7ce34bddf6ff589dd3c2980eb4dbc3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 43150cd6f2eb45e569efa1bfe4d34f75 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .sf db3e57ac6e1baf75c3e9488e44dc0c27 standalone.application.boinc.Puzzle: {0} .ocmdline e14ffdcac91bac948806a2ff7ed87ea4 standalone.application.boinc.Puzzle: {0} .opdb baf2b55ed9d608eccf6b6b91dac460d3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 55ebdc3066184544e214ab59b3e564d6 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .sym 9416a20b4855d4d4b0754de653e7dd55 standalone.application.boinc.Puzzle: {0} .ocmdline 9213d67f559515a2b1c07bd45bdb7cf9 standalone.application.boinc.Puzzle: {0} .ocnstr adee7993ef58481848b77be273ca0301 standalone.application.boinc.Puzzle: {0} .ofilters 7ac1df082f19ea354c52ff327c3f8072 standalone.application.boinc.Puzzle: {0} .opdb 16436660143808fe77ad2b2d3c6db17b standalone.application.boinc.Puzzle: {0} .opuzzle_setup 63dc36329331e9ebb264d652e4aa7668 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb 2cb8ff8457d30a4bf7f2ba9e4df53760 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 9090234d1eabcc31aeb31cc118fa57e2 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .odensity e1b86f0550a04e66e0be5ffdcbf92a0b standalone.application.boinc.Puzzle: {0} .opdb 17f27e3f3a7f9c7a4f1b6adea9855ef2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup beba35efb5c3dc08b28f827c509250d8 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .opdb 422ffe0f884768bfba27150c5da1fa4e standalone.application.boinc.Puzzle: {0} .opuzzle_setup 08586216d9939ed1b557037a98b94cc2 standalone.application.boinc.Puzzle: {0} .owts 5b16284e5e5e4f85b6793eba788a0ce0 standalone.application.boinc.Puzzle: {0} .ofilters 51cc7c463827adfeabbf28f028dbc40e standalone.application.boinc.Puzzle: {0} .opdb 5c1466758b5afcebde9357f02a2277a2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup b01cebc591e0b44ec7ded089c6c2ffd5 standalone.application.boinc.Puzzle: {0} .osmiles_queue c0d3e3b55e81a4dffbb7a2930cf25b4b standalone.application.boinc.Puzzle: {0} .owts b4fb927e049837a8d522d1bf29e015ee standalone.application.boinc.Puzzle: {0} .params 84bf224d12c208e9c004d0ae09e5893d game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores standalone.application.MoveCountTracker: {0} Action not in MoveCountTracker map: ActionLigandQueue standalone.application.MoveCountTracker: {0} Action not in MoveCountTracker map: ActionLigandQueue standalone.application.MoveCountTracker: {0} Action not in MoveCountTracker map: ActionLigandQueue standalone.application.MoveCountTracker: {0} Action not in MoveCountTracker map: ActionLigandQueue interactive.application.actions.cart.PoseLoopThreadActionCart: {0} ***** STARTING THREAD ActionLigandQueue interactive.application.shared.tool_util: {0} RT: 11111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111 game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzles standalone.application.boinc.Puzzle: {0} .ocmdline d0c38b589470b99976db250c17c71d3d standalone.application.boinc.Puzzle: {0} .ofilters eb8c2fc8a467c4cf237618a29c45f665 standalone.application.boinc.Puzzle: {0} .opdb a7916996dc6adb777c51f4c4a575fa84 standalone.application.boinc.Puzzle: {0} .opuzzle_setup eddf1be56eb7d97f3a0ce625e923bff7 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb cd7ce34bddf6ff589dd3c2980eb4dbc3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 43150cd6f2eb45e569efa1bfe4d34f75 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .sf db3e57ac6e1baf75c3e9488e44dc0c27 standalone.application.boinc.Puzzle: {0} .ocmdline e14ffdcac91bac948806a2ff7ed87ea4 standalone.application.boinc.Puzzle: {0} .opdb baf2b55ed9d608eccf6b6b91dac460d3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 55ebdc3066184544e214ab59b3e564d6 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .sym 9416a20b4855d4d4b0754de653e7dd55 standalone.application.boinc.Puzzle: {0} .ocmdline 9213d67f559515a2b1c07bd45bdb7cf9 standalone.application.boinc.Puzzle: {0} .ocnstr adee7993ef58481848b77be273ca0301 standalone.application.boinc.Puzzle: {0} .ofilters 7ac1df082f19ea354c52ff327c3f8072 standalone.application.boinc.Puzzle: {0} .opdb 16436660143808fe77ad2b2d3c6db17b standalone.application.boinc.Puzzle: {0} .opuzzle_setup 63dc36329331e9ebb264d652e4aa7668 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb 2cb8ff8457d30a4bf7f2ba9e4df53760 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 9090234d1eabcc31aeb31cc118fa57e2 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .odensity e1b86f0550a04e66e0be5ffdcbf92a0b standalone.application.boinc.Puzzle: {0} .opdb 17f27e3f3a7f9c7a4f1b6adea9855ef2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup beba35efb5c3dc08b28f827c509250d8 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .opdb 422ffe0f884768bfba27150c5da1fa4e standalone.application.boinc.Puzzle: {0} .opuzzle_setup 08586216d9939ed1b557037a98b94cc2 standalone.application.boinc.Puzzle: {0} .owts 5b16284e5e5e4f85b6793eba788a0ce0 standalone.application.boinc.Puzzle: {0} .ofilters 51cc7c463827adfeabbf28f028dbc40e standalone.application.boinc.Puzzle: {0} .opdb 5c1466758b5afcebde9357f02a2277a2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup b01cebc591e0b44ec7ded089c6c2ffd5 standalone.application.boinc.Puzzle: {0} .osmiles_queue c0d3e3b55e81a4dffbb7a2930cf25b4b standalone.application.boinc.Puzzle: {0} .owts b4fb927e049837a8d522d1bf29e015ee standalone.application.boinc.Puzzle: {0} .params 84bf224d12c208e9c004d0ae09e5893d game.application.server.CurlFetcher: {0} https://fold.it/api/post_score game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/post_solution game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzles standalone.application.boinc.Puzzle: {0} .ocmdline d0c38b589470b99976db250c17c71d3d standalone.application.boinc.Puzzle: {0} .ofilters eb8c2fc8a467c4cf237618a29c45f665 standalone.application.boinc.Puzzle: {0} .opdb a7916996dc6adb777c51f4c4a575fa84 standalone.application.boinc.Puzzle: {0} .opuzzle_setup eddf1be56eb7d97f3a0ce625e923bff7 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb cd7ce34bddf6ff589dd3c2980eb4dbc3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 43150cd6f2eb45e569efa1bfe4d34f75 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .sf db3e57ac6e1baf75c3e9488e44dc0c27 standalone.application.boinc.Puzzle: {0} .ocmdline e14ffdcac91bac948806a2ff7ed87ea4 standalone.application.boinc.Puzzle: {0} .opdb baf2b55ed9d608eccf6b6b91dac460d3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 55ebdc3066184544e214ab59b3e564d6 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .sym 9416a20b4855d4d4b0754de653e7dd55 standalone.application.boinc.Puzzle: {0} .ocmdline 9213d67f559515a2b1c07bd45bdb7cf9 standalone.application.boinc.Puzzle: {0} .ocnstr adee7993ef58481848b77be273ca0301 standalone.application.boinc.Puzzle: {0} .ofilters 7ac1df082f19ea354c52ff327c3f8072 standalone.application.boinc.Puzzle: {0} .opdb 16436660143808fe77ad2b2d3c6db17b standalone.application.boinc.Puzzle: {0} .opuzzle_setup 63dc36329331e9ebb264d652e4aa7668 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb 2cb8ff8457d30a4bf7f2ba9e4df53760 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 9090234d1eabcc31aeb31cc118fa57e2 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .odensity e1b86f0550a04e66e0be5ffdcbf92a0b standalone.application.boinc.Puzzle: {0} .opdb 17f27e3f3a7f9c7a4f1b6adea9855ef2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup beba35efb5c3dc08b28f827c509250d8 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .opdb 422ffe0f884768bfba27150c5da1fa4e standalone.application.boinc.Puzzle: {0} .opuzzle_setup 08586216d9939ed1b557037a98b94cc2 standalone.application.boinc.Puzzle: {0} .owts 5b16284e5e5e4f85b6793eba788a0ce0 standalone.application.boinc.Puzzle: {0} .ofilters 51cc7c463827adfeabbf28f028dbc40e standalone.application.boinc.Puzzle: {0} .opdb 5c1466758b5afcebde9357f02a2277a2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup b01cebc591e0b44ec7ded089c6c2ffd5 standalone.application.boinc.Puzzle: {0} .osmiles_queue c0d3e3b55e81a4dffbb7a2930cf25b4b standalone.application.boinc.Puzzle: {0} .owts b4fb927e049837a8d522d1bf29e015ee standalone.application.boinc.Puzzle: {0} .params 84bf224d12c208e9c004d0ae09e5893d game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzles standalone.application.boinc.Puzzle: {0} .ocmdline d0c38b589470b99976db250c17c71d3d standalone.application.boinc.Puzzle: {0} .ofilters eb8c2fc8a467c4cf237618a29c45f665 standalone.application.boinc.Puzzle: {0} .opdb a7916996dc6adb777c51f4c4a575fa84 standalone.application.boinc.Puzzle: {0} .opuzzle_setup eddf1be56eb7d97f3a0ce625e923bff7 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb cd7ce34bddf6ff589dd3c2980eb4dbc3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 43150cd6f2eb45e569efa1bfe4d34f75 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .sf db3e57ac6e1baf75c3e9488e44dc0c27 standalone.application.boinc.Puzzle: {0} .ocmdline e14ffdcac91bac948806a2ff7ed87ea4 standalone.application.boinc.Puzzle: {0} .opdb baf2b55ed9d608eccf6b6b91dac460d3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 55ebdc3066184544e214ab59b3e564d6 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .sym 9416a20b4855d4d4b0754de653e7dd55 standalone.application.boinc.Puzzle: {0} .ocmdline 9213d67f559515a2b1c07bd45bdb7cf9 standalone.application.boinc.Puzzle: {0} .ocnstr adee7993ef58481848b77be273ca0301 standalone.application.boinc.Puzzle: {0} .ofilters 7ac1df082f19ea354c52ff327c3f8072 standalone.application.boinc.Puzzle: {0} .opdb 16436660143808fe77ad2b2d3c6db17b standalone.application.boinc.Puzzle: {0} .opuzzle_setup 63dc36329331e9ebb264d652e4aa7668 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb 2cb8ff8457d30a4bf7f2ba9e4df53760 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 9090234d1eabcc31aeb31cc118fa57e2 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .odensity e1b86f0550a04e66e0be5ffdcbf92a0b standalone.application.boinc.Puzzle: {0} .opdb 17f27e3f3a7f9c7a4f1b6adea9855ef2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup beba35efb5c3dc08b28f827c509250d8 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .opdb 422ffe0f884768bfba27150c5da1fa4e standalone.application.boinc.Puzzle: {0} .opuzzle_setup 08586216d9939ed1b557037a98b94cc2 standalone.application.boinc.Puzzle: {0} .owts 5b16284e5e5e4f85b6793eba788a0ce0 standalone.application.boinc.Puzzle: {0} .ofilters 51cc7c463827adfeabbf28f028dbc40e standalone.application.boinc.Puzzle: {0} .opdb 5c1466758b5afcebde9357f02a2277a2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup b01cebc591e0b44ec7ded089c6c2ffd5 standalone.application.boinc.Puzzle: {0} .osmiles_queue c0d3e3b55e81a4dffbb7a2930cf25b4b standalone.application.boinc.Puzzle: {0} .owts b4fb927e049837a8d522d1bf29e015ee standalone.application.boinc.Puzzle: {0} .params 84bf224d12c208e9c004d0ae09e5893d game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores [13:40:37] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(O)c1)NC1CC1 and [H]N1C=CC2=C(NCC3(C(F)(F)F)CCCCC3)N=C(N)N=C21 interactive.application.actions.ligand_util: {0} Found 2 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-[#7]-[#6]-[#6](-[#6])-[#6]-[#6]-,:[#6]-,:[#6]-,:[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1c([H])n([H])c2nc(N([H])[H])nc(N([H])C([H])([H])C3(C(F)(F)F)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c12 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_5001 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 1.398s to generate 15 conformers for LG_5001: [H]c1c([H])n([H])c2nc(N([H])[H])nc(N([H])C([H])([H])C3(C(F)(F)F)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c12 [13:40:42] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(O)c1)NC1CC1 and [H][C@@]1(F)CN(C2=NC=NC(NCC(C)O)=C2)[C@]([H])(CC(=O)O)C1 interactive.application.actions.ligand_util: {0} Found 1 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-[#6]-[#7]-[#6]-[#6]-,:[#6]-[#6]-[#6]-[#6](=[#8])-[#8] core.chemical.icoor_support: {0} [ WARNING ] Resetting the ICOORD invalidated some CHI entries - recomputing. interactive.application.actions.ligand_util: {0} Designed Residue: [H]O[C@@]([H])(C([H])([H])[H])C([H])([H])N([H])c1c([H])c(N2C([H])([H])[C@@]([H])(F)C([H])([H])[C@@]2([H])C([H])([H])C(=O)[O-])nc([H])n1 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_5002 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.546s to generate 15 conformers for LG_5002: [H]O[C@@]([H])(C([H])([H])[H])C([H])([H])N([H])c1nc([H])nc(N2C([H])([H])[C@@]([H])(F)C([H])([H])[C@@]2([H])C([H])([H])C(=O)[O-])c1[H] [13:40:48] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(O)c1)NC1CC1 and [H][C@@]1(C#N)CN(S(=O)(=O)CC2CCCCC2(F)F)C[C@@]1([H])C1=CC=CC=C1 interactive.application.actions.ligand_util: {0} Found 1 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-,:[#6](-[#6]-[#7])-,:[#6](-[#6])-,:[#6]-,:[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1c([H])c([H])c([C@@]2([H])C([H])([H])N(S(=O)(=O)C([H])([H])[C@@]3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3(F)F)C([H])([H])[C@@]2([H])C#N)c([H])c1[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_5003 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 1.909s to generate 15 conformers for LG_5003: [H]c1c([H])c([H])c([C@@]2([H])C([H])([H])N(S(=O)(=O)C([H])([H])[C@@]3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3(F)F)C([H])([H])[C@@]2([H])C#N)c([H])c1[H] [13:40:53] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(O)c1)NC1CC1 and CC(C)CN1C=C(NC(=O)C2CCNC(=O)C2)C=N1 interactive.application.actions.ligand_util: {0} Found 2 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6](-[#7]-[#6](=[#8])-[#6](-,:[#6]-,:[#6])-,:[#6]-,:[#6])-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1nn(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1N([H])C(=O)[C@@]1([H])C([H])([H])C(=O)N([H])C([H])([H])C1([H])[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_5004 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.431s to generate 15 conformers for LG_5004: [H]c1nn(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1N([H])C(=O)[C@@]1([H])C([H])([H])C(=O)N([H])C([H])([H])C1([H])[H] [13:40:57] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(O)c1)NC1CC1 and COC1=CC=C(OCC2=NN=C(SCC(N)=O)N2C2=CC=CC=C2F)C=C1 interactive.application.actions.ligand_util: {0} Found 2 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-[#6]-[#7]-[#6]-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1c([H])c([H])c(-n2c(SC([H])([H])C(=O)N([H])[H])nnc2C([H])([H])Oc2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])c(F)c1[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_5005 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.715s to generate 20 conformers for LG_5005: [H]c1c([H])c([H])c(-n2c(SC([H])([H])C(=O)N([H])[H])nnc2C([H])([H])Oc2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])c(F)c1[H] [13:41:02] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(O)c1)NC1CC1 and [H]N1C(=O)C(C(=O)OCC2CC(F)(F)C2)=CC(C)=C1C interactive.application.actions.ligand_util: {0} Found 1 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6](-[#6](=[#8])-[#8])-[#6]-[#7]-[#6]-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1c(C(=O)OC([H])([H])C2([H])C([H])([H])C(F)(F)C2([H])[H])c(=O)n([H])c(C([H])([H])[H])c1C([H])([H])[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_5006 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.385s to generate 15 conformers for LG_5006: [H]c1c(C([H])([H])[H])c(C([H])([H])[H])n([H])c(=O)c1C(=O)OC([H])([H])C1([H])C([H])([H])C(F)(F)C1([H])[H] [13:41:08] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(O)c1)NC1CC1 and CCN(C(C)=O)C1=NC(C=CC(=O)C2=CC=CC(N3CCOC3=O)=C2)=CS1 interactive.application.actions.ligand_util: {0} Found 2 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-[#6]-[#7]-[#6](-[#6])=[#8] interactive.application.actions.ligand_util: {0} Designed Residue: [H]C(C(=O)c1c([H])c([H])c([H])c(N2C(=O)OC([H])([H])C2([H])[H])c1[H])=C([H])c1c([H])sc(N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[H])n1 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_5007 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.861s to generate 15 conformers for LG_5007: [H]C(C(=O)c1c([H])c([H])c([H])c(N2C(=O)OC([H])([H])C2([H])[H])c1[H])=C([H])c1nc(N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[H])sc1[H] [13:41:16] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(O)c1)NC1CC1 and O=C(COCCOC1=CC=CC=C1)N1CCC2=CC=NC(O)=C2C1 interactive.application.actions.ligand_util: {0} Found 4 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#8]=[#6](-[#6])-[#7]-[#6]-[#6]-,:[#6]-,:[#6]-,:[#6] core.chemical.icoor_support: {0} [ WARNING ] Resetting the ICOORD invalidated some CHI entries - recomputing. interactive.application.actions.ligand_util: {0} Designed Residue: [H]Oc1c2c(c([H])c([H])n1)C([H])([H])C([H])([H])N(C(=O)C([H])([H])OC([H])([H])C([H])([H])Oc1c([H])c([H])c([H])c([H])c1[H])C2([H])[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_5008 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.516s to generate 20 conformers for LG_5008: [H]Oc1nc([H])c([H])c2c1C([H])([H])N(C(=O)C([H])([H])OC([H])([H])C([H])([H])Oc1c([H])c([H])c([H])c([H])c1[H])C([H])([H])C2([H])[H] [13:41:23] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(O)c1)NC1CC1 and O=C(C1=NC(Br)=C2C(F)=CC=CN12)N1CCCC1C1=NN=CS1 interactive.application.actions.ligand_util: {0} Found 4 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#8]=[#6](-[#6])-[#7]-[#6]-[#6]-,:[#6]-,:[#6]-,:[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1nnc([C@]2([H])N(C(=O)c3nc(Br)c4c(F)c([H])c([H])c([H])n34)C([H])([H])C([H])([H])C2([H])[H])s1 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_5009 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.41s to generate 15 conformers for LG_5009: [H]c1nnc([C@]2([H])N(C(=O)c3nc(Br)c4c(F)c([H])c([H])c([H])n34)C([H])([H])C([H])([H])C2([H])[H])s1 [13:41:26] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(O)c1)NC1CC1 and [H][C@@]1(CO)CN(C2=NC3=CC=CN=C3S2)C[C@@]([H])(CO)O1 interactive.application.actions.ligand_util: {0} Found 1 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#8]-[#6]-,:[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#8] core.chemical.icoor_support: {0} [ WARNING ] Resetting the ICOORD invalidated some CHI entries - recomputing. interactive.application.actions.ligand_util: {0} Designed Residue: [H]OC([H])([H])[C@@]1([H])O[C@]([H])(C([H])([H])O[H])C([H])([H])N(c2nc3c([H])c([H])c([H])nc3s2)C1([H])[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50010 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 1.669s to generate 15 conformers for LG_50010: [H]OC([H])([H])[C@@]1([H])O[C@]([H])(C([H])([H])O[H])C([H])([H])N(c2nc3c([H])c([H])c([H])nc3s2)C1([H])[H] interactive.application.actions.cart.PoseLoopThreadActionCart: {0} ***** ENDING THREAD ActionLigandQueue game.application.server.CurlFetcher: {0} https://fold.it/api/get_solutions game.application.server.CurlFetcher: {0} https://fold.it/api/post_solution game.application.server.CurlFetcher: {0} https://fold.it/api/get_solutions standalone.application.MoveCountTracker: {0} Action not in MoveCountTracker map: ActionLigandQueue standalone.application.MoveCountTracker: {0} Action not in MoveCountTracker map: ActionLigandQueue standalone.application.MoveCountTracker: {0} Action not in MoveCountTracker map: ActionLigandQueue standalone.application.MoveCountTracker: {0} Action not in MoveCountTracker map: ActionLigandQueue interactive.application.actions.cart.PoseLoopThreadActionCart: {0} ***** STARTING THREAD ActionLigandQueue interactive.application.shared.tool_util: {0} RT: 11111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111111 [13:42:30] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and [H]N1C=CC2=C(NCC3(C(F)(F)F)CCCCC3)N=C(N)N=C21 interactive.application.actions.ligand_util: {0} Found 1 and 2 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#7]-[#6]:,-[#7]:,-[#6]:,-[#6]:,-[#6]:,-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1c([H])n([H])c2nc(N([H])[H])nc(N([H])C([H])([H])C3(C(F)(F)F)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c12 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50012 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 1.378s to generate 15 conformers for LG_50012: [H]c1c([H])n([H])c2nc(N([H])[H])nc(N([H])C([H])([H])C3(C(F)(F)F)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c12 [13:42:32] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and [H][C@@]1(F)CN(C2=NC=NC(NCC(C)O)=C2)[C@]([H])(CC(=O)O)C1 interactive.application.actions.ligand_util: {0} Found 2 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#8]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-[#6] core.chemical.icoor_support: {0} [ WARNING ] Resetting the ICOORD invalidated some CHI entries - recomputing. interactive.application.actions.ligand_util: {0} Designed Residue: [H]O[C@@]([H])(C([H])([H])[H])C([H])([H])N([H])c1c([H])c(N2C([H])([H])[C@@]([H])(F)C([H])([H])[C@@]2([H])C([H])([H])C(=O)[O-])nc([H])n1 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50013 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.59s to generate 15 conformers for LG_50013: [H]O[C@@]([H])(C([H])([H])[H])C([H])([H])N([H])c1nc([H])nc(N2C([H])([H])[C@@]([H])(F)C([H])([H])[C@@]2([H])C([H])([H])C(=O)[O-])c1[H] [13:42:33] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and [H][C@@]1(C#N)CN(S(=O)(=O)CC2CCCCC2(F)F)C[C@@]1([H])C1=CC=CC=C1 interactive.application.actions.ligand_util: {0} Found 1 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1c([H])c([H])c([C@@]2([H])C([H])([H])N(S(=O)(=O)C([H])([H])[C@@]3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3(F)F)C([H])([H])[C@@]2([H])C#N)c([H])c1[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50014 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue [13:42:35] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and CC(C)CN1C=C(NC(=O)C2CCNC(=O)C2)C=N1 interactive.application.actions.ligand_util: {0} Found 1 and 2 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-,:[#7]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#7]-,:[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1nn(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1N([H])C(=O)[C@@]1([H])C([H])([H])C(=O)N([H])C([H])([H])C1([H])[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50015 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.552s to generate 15 conformers for LG_50015: [H]c1nn(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1N([H])C(=O)[C@@]1([H])C([H])([H])C(=O)N([H])C([H])([H])C1([H])[H] [13:42:36] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and COC1=CC=C(OCC2=NN=C(SCC(N)=O)N2C2=CC=CC=C2F)C=C1 interactive.application.actions.ligand_util: {0} Found 2 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-[#6]-[#8]-[#6]-[#6]-[#7](-[#6])-[#6]:,-[#16]:,-[#6]:,-[#6]:,-[#7] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1c([H])c([H])c(-n2c(SC([H])([H])C(=O)N([H])[H])nnc2C([H])([H])Oc2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])c(F)c1[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50016 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.944s to generate 20 conformers for LG_50016: [H]c1c([H])c([H])c(-n2c(SC([H])([H])C(=O)N([H])[H])nnc2C([H])([H])Oc2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])c(F)c1[H] interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 2.359s to generate 15 conformers for LG_50014: [H]c1c([H])c([H])c([C@@]2([H])C([H])([H])N(S(=O)(=O)C([H])([H])[C@@]3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3(F)F)C([H])([H])[C@@]2([H])C#N)c([H])c1[H] [13:42:46] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and [H]N1C(=O)C(C(=O)OCC2CC(F)(F)C2)=CC(C)=C1C interactive.application.actions.ligand_util: {0} Found 2 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#8]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1c(C(=O)OC([H])([H])C2([H])C([H])([H])C(F)(F)C2([H])[H])c(=O)n([H])c(C([H])([H])[H])c1C([H])([H])[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50017 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.414s to generate 15 conformers for LG_50017: [H]c1c(C([H])([H])[H])c(C([H])([H])[H])n([H])c(=O)c1C(=O)OC([H])([H])C1([H])C([H])([H])C(F)(F)C1([H])[H] [13:42:51] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and CCN(C(C)=O)C1=NC(C=CC(=O)C2=CC=CC(N3CCOC3=O)=C2)=CS1 interactive.application.actions.ligand_util: {0} Found 1 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-[#6]-[#7](-[#6]:,-[#16]:,-[#6])-[#6]-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]C(C(=O)c1c([H])c([H])c([H])c(N2C(=O)OC([H])([H])C2([H])[H])c1[H])=C([H])c1c([H])sc(N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[H])n1 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50018 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.865s to generate 15 conformers for LG_50018: [H]C(C(=O)c1c([H])c([H])c([H])c(N2C(=O)OC([H])([H])C2([H])[H])c1[H])=C([H])c1nc(N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[H])sc1[H] [13:42:56] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and O=C(COCCOC1=CC=CC=C1)N1CCC2=CC=NC(O)=C2C1 interactive.application.actions.ligand_util: {0} Found 2 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7](-[#6])-[#6] core.chemical.icoor_support: {0} [ WARNING ] Resetting the ICOORD invalidated some CHI entries - recomputing. interactive.application.actions.ligand_util: {0} Designed Residue: [H]Oc1c2c(c([H])c([H])n1)C([H])([H])C([H])([H])N(C(=O)C([H])([H])OC([H])([H])C([H])([H])Oc1c([H])c([H])c([H])c([H])c1[H])C2([H])[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50019 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.52s to generate 20 conformers for LG_50019: [H]Oc1nc([H])c([H])c2c1C([H])([H])N(C(=O)C([H])([H])OC([H])([H])C([H])([H])Oc1c([H])c([H])c([H])c([H])c1[H])C([H])([H])C2([H])[H] game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzles standalone.application.boinc.Puzzle: {0} .ocmdline d0c38b589470b99976db250c17c71d3d standalone.application.boinc.Puzzle: {0} .ofilters eb8c2fc8a467c4cf237618a29c45f665 standalone.application.boinc.Puzzle: {0} .opdb a7916996dc6adb777c51f4c4a575fa84 standalone.application.boinc.Puzzle: {0} .opuzzle_setup eddf1be56eb7d97f3a0ce625e923bff7 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb cd7ce34bddf6ff589dd3c2980eb4dbc3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 43150cd6f2eb45e569efa1bfe4d34f75 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .sf db3e57ac6e1baf75c3e9488e44dc0c27 standalone.application.boinc.Puzzle: {0} .ocmdline e14ffdcac91bac948806a2ff7ed87ea4 standalone.application.boinc.Puzzle: {0} .opdb baf2b55ed9d608eccf6b6b91dac460d3 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 55ebdc3066184544e214ab59b3e564d6 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .sym 9416a20b4855d4d4b0754de653e7dd55 standalone.application.boinc.Puzzle: {0} .ocmdline 9213d67f559515a2b1c07bd45bdb7cf9 standalone.application.boinc.Puzzle: {0} .ocnstr adee7993ef58481848b77be273ca0301 standalone.application.boinc.Puzzle: {0} .ofilters 7ac1df082f19ea354c52ff327c3f8072 standalone.application.boinc.Puzzle: {0} .opdb 16436660143808fe77ad2b2d3c6db17b standalone.application.boinc.Puzzle: {0} .opuzzle_setup 63dc36329331e9ebb264d652e4aa7668 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .opdb 2cb8ff8457d30a4bf7f2ba9e4df53760 standalone.application.boinc.Puzzle: {0} .opuzzle_setup 9090234d1eabcc31aeb31cc118fa57e2 standalone.application.boinc.Puzzle: {0} .owts d2f7165a0e0f8d0203c093ba8d54267f standalone.application.boinc.Puzzle: {0} .odensity e1b86f0550a04e66e0be5ffdcbf92a0b standalone.application.boinc.Puzzle: {0} .opdb 17f27e3f3a7f9c7a4f1b6adea9855ef2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup beba35efb5c3dc08b28f827c509250d8 standalone.application.boinc.Puzzle: {0} .owts 176403f366c9d25492c31b94f83a88c2 standalone.application.boinc.Puzzle: {0} .opdb 422ffe0f884768bfba27150c5da1fa4e standalone.application.boinc.Puzzle: {0} .opuzzle_setup 08586216d9939ed1b557037a98b94cc2 standalone.application.boinc.Puzzle: {0} .owts 5b16284e5e5e4f85b6793eba788a0ce0 standalone.application.boinc.Puzzle: {0} .ofilters 51cc7c463827adfeabbf28f028dbc40e standalone.application.boinc.Puzzle: {0} .opdb 5c1466758b5afcebde9357f02a2277a2 standalone.application.boinc.Puzzle: {0} .opuzzle_setup b01cebc591e0b44ec7ded089c6c2ffd5 standalone.application.boinc.Puzzle: {0} .osmiles_queue c0d3e3b55e81a4dffbb7a2930cf25b4b standalone.application.boinc.Puzzle: {0} .owts b4fb927e049837a8d522d1bf29e015ee standalone.application.boinc.Puzzle: {0} .params 84bf224d12c208e9c004d0ae09e5893d game.application.server.CurlFetcher: {0} https://fold.it/api/post_score game.application.server.CurlFetcher: {0} https://fold.it/api/get_puzzle_scores game.application.server.CurlFetcher: {0} https://fold.it/api/post_solution [13:43:07] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and O=C(C1=NC(Br)=C2C(F)=CC=CN12)N1CCCC1C1=NN=CS1 interactive.application.actions.ligand_util: {0} Found 1 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]:,-[#7]:,-[#6](:,-[#6]:,-[#6]:,-[#6]):,-[#6]:,-[#16] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1nnc([C@]2([H])N(C(=O)c3nc(Br)c4c(F)c([H])c([H])c([H])n34)C([H])([H])C([H])([H])C2([H])[H])s1 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50020 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.431s to generate 15 conformers for LG_50020: [H]c1nnc([C@]2([H])N(C(=O)c3nc(Br)c4c(F)c([H])c([H])c([H])n34)C([H])([H])C([H])([H])C2([H])[H])s1 [13:43:12] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and [H][C@@]1(CO)CN(C2=NC3=CC=CN=C3S2)C[C@@]([H])(CO)O1 interactive.application.actions.ligand_util: {0} Found 1 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#8]-[#6]-[#6]1-[#6]-[#7](-[#6]:,-[#16]:,-[#6]:,-[#6]:,-[#7])-[#6]-[#6](-[#8]-1)-[#6]-[#8] core.chemical.icoor_support: {0} [ WARNING ] Resetting the ICOORD invalidated some CHI entries - recomputing. interactive.application.actions.ligand_util: {0} Designed Residue: [H]OC([H])([H])[C@@]1([H])O[C@]([H])(C([H])([H])O[H])C([H])([H])N(c2nc3c([H])c([H])c([H])nc3s2)C1([H])[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50021 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 1.719s to generate 15 conformers for LG_50021: [H]OC([H])([H])[C@@]1([H])O[C@]([H])(C([H])([H])O[H])C([H])([H])N(c2nc3c([H])c([H])c([H])nc3s2)C1([H])[H] [13:43:21] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and [H]N1N=CC2=C(N3CCC4(CCN(C5=NC=NC6=C5C=NN6[H])C4)CC3)N=CN=C21 interactive.application.actions.ligand_util: {0} Found 1 and 4 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#7]-[#6]:,-[#7]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#7]:,-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1nc(N2C([H])([H])C([H])([H])C3(C([H])([H])N(c4nc([H])nc5c4c([H])nn5[H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])c2c([H])nn([H])c2n1 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50022 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 2.057s to generate 15 conformers for LG_50022: [H]c1nc(N2C([H])([H])C([H])([H])C3(C([H])([H])N(c4nc([H])nc5c4c([H])nn5[H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])c2c([H])nn([H])c2n1 [13:43:26] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and [H]N1C=NC2=C1C(N(C)CC(=O)NCC1(C)CSC1)=NC=N2 interactive.application.actions.ligand_util: {0} Found 1 and 6 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]:,-[#7]:,-[#6]:,-[#6]:,-[#7]:,-[#6]:,-[#6]:,-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1nc2c(c(N(C([H])([H])[H])C([H])([H])C(=O)N([H])C([H])([H])C3(C([H])([H])[H])C([H])([H])SC3([H])[H])n1)n([H])c([H])n2 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50023 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.505s to generate 15 conformers for LG_50023: [H]c1nc(N(C([H])([H])[H])C([H])([H])C(=O)N([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])SC2([H])[H])c2c(n1)nc([H])n2[H] [13:43:38] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and [H]N1C(=O)C2=C(C(=O)NC3CCC4=CN=CC=C4C3=O)C=C(C(C)C)N=C2N(CC)C1=O interactive.application.actions.ligand_util: {0} Found 2 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-[#6]-[#6]-[#7](-[#6]:,-[#7])-[#6]-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1nc([H])c2c(c1[H])C(=O)[C@@]([H])(N([H])C(=O)c1c3c(=O)n([H])c(=O)n(C([H])([H])C([H])([H])[H])c3nc(C([H])(C([H])([H])[H])C([H])([H])[H])c1[H])C([H])([H])C2([H])[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50024 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 1.231s to generate 15 conformers for LG_50024: [H]c1nc([H])c2c(c1[H])C(=O)[C@@]([H])(N([H])C(=O)c1c([H])c(C([H])(C([H])([H])[H])C([H])([H])[H])nc3c1c(=O)n([H])c(=O)n3C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H] [13:43:42] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and CC1=NC2=NC=NN2C(C)=C1CCC(=O)N(CC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1CC1 interactive.application.actions.ligand_util: {0} Found 1 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1nn2c(C([H])([H])[H])c(C([H])([H])C([H])([H])C(=O)N(C([H])([H])c3nnc(-c4c([H])c([H])c(Cl)c([H])c4[H])o3)C3([H])C([H])([H])C3([H])[H])c(C([H])([H])[H])nc2n1 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50025 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 2.104s to generate 20 conformers for LG_50025: [H]c1nc2nc(C([H])([H])[H])c(C([H])([H])C([H])([H])C(=O)N(C([H])([H])c3nnc(-c4c([H])c([H])c(Cl)c([H])c4[H])o3)C3([H])C([H])([H])C3([H])[H])c(C([H])([H])[H])n2n1 [13:43:47] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens [13:43:48] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and [H][C@]12CN(C(=O)C3(C(=O)N4C[C@@]5([H])[C@@]([H])(C4)[C@]5([H])C(F)(F)F)CCC3)C[C@@]1([H])[C@]2([H])C(F)(F)F interactive.application.actions.ligand_util: {0} Found 1 and 18 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]C1([H])C([H])([H])C(C(=O)N2C([H])([H])[C@]3([H])[C@@]([H])(C(F)(F)F)[C@]3([H])C2([H])[H])(C(=O)N2C([H])([H])[C@]3([H])[C@@]([H])(C(F)(F)F)[C@]3([H])C2([H])[H])C1([H])[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50026 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 1.35s to generate 15 conformers for LG_50026: [H]C1([H])C([H])([H])C(C(=O)N2C([H])([H])[C@]3([H])[C@@]([H])(C(F)(F)F)[C@]3([H])C2([H])[H])(C(=O)N2C([H])([H])[C@]3([H])[C@@]([H])(C(F)(F)F)[C@]3([H])C2([H])[H])C1([H])[H] [13:43:51] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and CC1C(O)CN1C1=CC=NC2=C1CCCC2 interactive.application.actions.ligand_util: {0} Found 1 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6](-[#6](-[#8])-[#6])-[#7]-[#6]-[#6]-[#6] core.chemical.icoor_support: {0} [ WARNING ] Resetting the ICOORD invalidated some CHI entries - recomputing. interactive.application.actions.ligand_util: {0} Designed Residue: [H]O[C@@]1([H])C([H])([H])N(c2c([H])c([H])nc3c2C([H])([H])C([H])([H])C([H])([H])C3([H])[H])[C@]1([H])C([H])([H])[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50027 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.509s to generate 15 conformers for LG_50027: [H]O[C@@]1([H])C([H])([H])N(c2c([H])c([H])nc3c2C([H])([H])C([H])([H])C([H])([H])C3([H])[H])[C@]1([H])C([H])([H])[H] [13:43:54] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and CCC(CC)C(CNC1=CC=CC2=NN=CN12)OC interactive.application.actions.ligand_util: {0} Found 2 and 2 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-,:[#6]-,:[#6]-,:[#6]-,:[#7]-,:[#6]-[#7](-[#6])-[#6]-[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1c([H])c2nnc([H])n2c(N([H])C([H])([H])[C@]([H])(OC([H])([H])[H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])c1[H] core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50028 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.618s to generate 15 conformers for LG_50028: [H]c1c([H])c(N([H])C([H])([H])[C@]([H])(OC([H])([H])[H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])n2c([H])nnc2c1[H] [13:44:00] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and CS(=O)(=O)C1=CC=CC(C2=NC(C(F)(F)F)=CO2)=C1 interactive.application.actions.ligand_util: {0} Found 1 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-,:[#16]-,:[#6]-,:[#6] interactive.application.actions.ligand_util: {0} Designed Residue: [H]c1c(C(F)(F)F)nc(-c2c([H])c(S(=O)(=O)C([H])([H])[H])c([H])c([H])c2[H])o1 core.chemical.ResidueTypeSet: {0} [ WARNING ] ResidueType LG_50029 of mode fa_standard is being added to a ResidueTypeSet of mode centroid interactive.application.actions.ligand_util: {0} replacing residue interactive.rosetta_util.ligand.ThreadedRDKitRotamerLibrarySpecification: {0} It took 0.245s to generate 15 conformers for LG_50029: [H]c1oc(-c2c([H])c([H])c([H])c(S(=O)(=O)C([H])([H])[H])c2[H])nc1C(F)(F)F [13:44:06] Molecule does not have explicit Hs. Consider calling AddHs() interactive.application.actions.ligand.ActionLigandQueue: {0} trying to add hydrogens interactive.application.actions.ligand_util: {0} Attempting to find the MCS of OC[C@@H]1CN(c2nc3cccnc3s2)C[C@@H](CO)O1 and CNC1=C(F)C=CC=C1Br.Cl interactive.application.actions.ligand_util: {0} Found 4 and 1 possible mappings. interactive.application.actions.ligand_util: {0} With a MCS of [#6]-[#7]-[#6]-[#6] core.chemical.residue_support: {0} [ WARNING ] No suitable neighbor atom found for UNKNOWN -- picking atom ( C6 ) instead. core.chemical.icoor_support: {0} [ ERROR ] For ResidueType UNKNOWN, atoms C6 and CL1 are not connected via bonds. ****** Encountered Crash at C:\Users\jflat06\foldit\develop\source\src\core\chemical\icoor_support.cc:159 Cannot reroot a disconnected ResidueType: 1: backtrace_string +52 bytes (no line) 2: game::application::CrashReporter::exit_callback +51 bytes (no line) 3: interactive::util::detail::checked_fxn_wrapper,std::allocator > const & __ptr64,int,std::basic_string,std::allocator > const & __ptr64) __ptr64>::operator(),std::allocator > const & __ptr64,int,std::basic_string,std::allocator > const & __ptr64,void (__cdecl game::application::CrashReporter::*)(std::basic_string,std::allocator > const & __ptr64,int,std::basic_string,std::allocator > const & __ptr64) __ptr64,0> +354 bytes (no line) 4: boost::detail::function::void_function_obj_invoker3,std::allocator > const & __ptr64,int,std::basic_string,std::allocator > const & __ptr64) __ptr64>,boost::_bi::list4 >,boost::arg<1>,boost::arg<2>,boost::arg<3> > >,void,std::basic_string,std::allocator > const & __ptr64,int,std::basic_string,std::allocator > const & __ptr64>::invoke +82 bytes (no line) 5: utility::exit_handler +264 bytes (no line) 6: utility::exit +24 bytes (no line) 7: utility::graph::depth_first_search_sort,core::chemical::RerootRestypeVisitor,boost::associative_property_map,std::allocator > > >,core::chemical::RerootEdgeSorter> +495 bytes (no line) 8: core::chemical::reroot_restype +1184 bytes (no line) 9: core::chemical::MutableResidueType::assign_internal_coordinates +270 bytes (no line) 10: core::chemical::rdkit::RDMolToRestype::generate_restype +3621 bytes (no line) 11: core::chemical::rdkit::RDMolToRestype::generate_restype +1232 bytes (no line) 12: core::chemical::rdkit::RDMolToRestype::generate_restype +919 bytes (no line) 13: interactive::application::actions::ligand::ActionLigandQueue::insert_fragment +1336 bytes (no line) 14: interactive::application::actions::ligand::ActionLigandQueue::thread_body_loop_unlocked +36 bytes (no line) 15: interactive::application::actions::cart::PoseLoopThreadActionCart::on_thread_run +6953 bytes (no line) 16: interactive::util::detail::checked_fxn_wrapper::operator() +440 bytes (no line) 17: boost::detail::function::void_function_obj_invoker0,boost::_bi::list1 > > >,void>::invoke +66 bytes (no line) 18: interactive::util::Thread::thread_entry_func +45 bytes (no line) 19: interactive::util::Thread::win32_thread_startup_helper +17 bytes (no line) 20: BaseThreadInitThunk +29 bytes (no line) 21: RtlUserThreadStart +40 bytes (no line) ERROR: Cannot reroot a disconnected ResidueType: ERROR:: Exit from: C:\Users\jflat06\foldit\develop\source\src\core\chemical\icoor_support.cc line: 159 UNHANDLED EXCEPTION 1: RaiseException +108 bytes (no line) 2: CxxThrowException +144 bytes (no line) 3: utility::exit +60 bytes (no line) 4: utility::graph::depth_first_search_sort,core::chemical::RerootRestypeVisitor,boost::associative_property_map,std::allocator > > >,core::chemical::RerootEdgeSorter> +495 bytes (no line) 5: core::chemical::reroot_restype +1184 bytes (no line) 6: core::chemical::MutableResidueType::assign_internal_coordinates +270 bytes (no line) 7: core::chemical::rdkit::RDMolToRestype::generate_restype +3621 bytes (no line) 8: core::chemical::rdkit::RDMolToRestype::generate_restype +1232 bytes (no line) 9: core::chemical::rdkit::RDMolToRestype::generate_restype +919 bytes (no line) 10: interactive::application::actions::ligand::ActionLigandQueue::insert_fragment +1336 bytes (no line) 11: interactive::application::actions::ligand::ActionLigandQueue::thread_body_loop_unlocked +36 bytes (no line) 12: interactive::application::actions::cart::PoseLoopThreadActionCart::on_thread_run +6953 bytes (no line) 13: interactive::util::detail::checked_fxn_wrapper::operator() +440 bytes (no line) 14: boost::detail::function::void_function_obj_invoker0,boost::_bi::list1 > > >,void>::invoke +66 bytes (no line) 15: interactive::util::Thread::thread_entry_func +45 bytes (no line) 16: interactive::util::Thread::win32_thread_startup_helper +17 bytes (no line) 17: BaseThreadInitThunk +29 bytes (no line) 18: RtlUserThreadStart +40 bytes (no line)