Antibody submit script, running with args: { "antibody_root": "/home/rosie/rosie/rosie.back/data/antibody", "blast": "/home/rosie/prefix/blast+/bin/blastp", "daemon_id": "GrayLab.Jazz", "data": "/home/rosie/rosie/rosie.back/data", "debug": false, "here": "/home/rosie/rosie/rosie.back", "profit": "profit", "rosetta_bin": "/home/rosie/rosie/rosie.back/data/antibody/bin", "rosetta_database": "/home/rosie/rosie/rosie.back/data/antibody/rosetta_database", "rosetta_platform": "static.linuxgccrelease", "scripts": "/home/rosie/rosie/rosie.back/data/antibody/scripts", "working_dir": "/home/rosie/rosie/rosie.back/Jobs/Job_01378/" } Antibody job input json: { "model_h3_loop": true } Running Antibody script... /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody.py --light-chain input/light_chain.fasta --heavy-chain input/heavy_chain.fasta --blast /home/rosie/prefix/blast+/bin/blastp --blast-database /home/rosie/rosie/rosie.back/data/antibody/scripts/blast_database --antibody-database /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database --profit profit --prefix=output/ --rosetta-bin /home/rosie/rosie/rosie.back/data/antibody/bin --rosetta-platform static.linuxgccrelease --rosetta-database /home/rosie/rosie/rosie.back/data/antibody/rosetta_database Could not find output/details/... creating it... Rosetta Antibody script [Python, version 2.0]. Starting... Prefix: output/ Blast database: /home/rosie/rosie/rosie.back/data/antibody/scripts/blast_database Antibody database: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database rosetta_bin: /home/rosie/rosie/rosie.back/data/antibody/bin [platform: static.linuxgccrelease] rosetta_databse: /home/rosie/rosie/rosie.back/data/antibody/rosetta_database Light chain: 'ENVLTQSPAIMSASPGEKVTMTCRASSSVSSSYLHWYQQKSGASPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISSVEAEDAATYYCQQYSGYPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC' Heavy chain: 'AVQLEQSGPELKKPGETVKISCKASGYTFTNYGMNWVKQAPGKGLKWMGWINTYTGEPTYADDFKERFAFSLETSASAAYLQINNLKNEDTATYFCARDYYGSTYPYYAMDYWGQGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGG' CDR: { "FRH": "AVQLEQELKKPGETVKISCKASWVKQKWMGRFAFSLETSASAAYLQINNLKNEDTATYFCARWGQGTTVTVSSA", "FRL": "ENVLTQIMSASPGEKVTMTCWYQQKLWIYGVPARFSGSGYSLTISSVEAEDAATYYCFGGGTKLEIKRA", "FR_H1": "AVQLEQSGPELKKPGETVKISCKAS", "FR_H2": "WVKQAPGKGLKWMG", "FR_H3": "RFAFSLETSASAAYLQINNLKNEDTATYFCAR", "FR_H4": "WGQGTTVTVSSA", "FR_L1": "ENVLTQSPAIMSASPGEKVTMTC", "FR_L2": "WYQQKSGASPKLWIY", "FR_L3": "GVPARFSGSGSGTSYSLTISSVEAEDAATYYC", "FR_L4": "FGGGTKLEIKRA", "H1": "GYTFTNYGMN", "H2": "WINTYTGEPTYADDFKE", "H3": "DYYGSTYPYYAMDY", "L1": "RASSSVSSSYLH", "L2": "STSNLAS", "L3": "QQYSGYPYT", "heavy": "AVQLEQSGPELKKPGETVKISCKASGYTFTNYGMNWVKQAPGKGLKWMGWINTYTGEPTYADDFKERFAFSLETSASAAYLQINNLKNEDTATYFCARDYYGSTYPYYAMDYWGQG", "light": "ENVLTQSPAIMSASPGEKVTMTCRASSSVSSSYLHWYQQKSGASPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISSVEAEDAATYYCQQYSGYPYTFGGG", "light_heavy": "ENVLTQSPAIMSASPGEKVTMTCRASSSVSSSYLHWYQQKSGASPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISSVEAEDAATYYCQQYSGYPYTFGGGAVQLEQSGPELKKPGETVKISCKASGYTFTNYGMNWVKQAPGKGLKWMGWINTYTGEPTYADDFKERFAFSLETSASAAYLQINNLKNEDTATYFCARDYYGSTYPYYAMDYWGQG" } Running blast as: /home/rosie/prefix/blast+/bin/blastp With datbase in:/home/rosie/rosie/rosie.back/data/antibody/scripts/blast_database The template for FRL is derived from: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database/pdb1eo8_chothia.pdb The template for FRH is derived from: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database/pdb2adf_chothia.pdb The template for light is derived from: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database/pdb1v7m_chothia.pdb The template for heavy is derived from: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database/pdb3ojd_chothia.pdb The template for L1 is derived from: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database/pdb1ors_chothia.pdb The template for L2 is derived from: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database/pdb3oz9_chothia.pdb The template for L3 is derived from: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database/pdb2b2x_chothia.pdb The template for H1 is derived from: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database/pdb4d9q_chothia.pdb The template for H2 is derived from: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database/pdb1a4j_chothia.pdb The template for H3 is derived from: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database/pdb2qhr_chothia.pdb The template for light_heavy is derived from: /home/rosie/rosie/rosie.back/data/antibody/scripts/antibody_database/pdb1uwx_chothia.pdb Running antibody_assemble as: /home/rosie/rosie/rosie.back/data/antibody/bin/antibody_assemble_CDRs.static.linuxgccrelease With rosetta_datbase in:/home/rosie/rosie/rosie.back/data/antibody/rosetta_database Running idealize as: /home/rosie/rosie/rosie.back/data/antibody/bin/idealize_jd2.static.linuxgccrelease With rosetta_datbase in:/home/rosie/rosie/rosie.back/data/antibody/rosetta_database Running idealize as: /home/rosie/rosie/rosie.back/data/antibody/bin/relax.static.linuxgccrelease With rosetta_datbase in:/home/rosie/rosie/rosie.back/data/antibody/rosetta_database Preparing the cter_constraint file of the subsequent H3 modeling for the query... H3: 14 DYYGSTYPYYAMDY Keys residues: LEU LEU TYR ALA ARG ALA MET ASP Predicted base conformation is KINK Done! Moving starting files to output/details dir... cp output/* output/details/ cp: omitting directory `output/details' cp: omitting directory `output/logs' Encounter error while executing: cp output/* output/details/