{ "format": "oscr-script-manifest/1", "repository": "zenodo:10819524", "url": "https://doi.org/10.5281/zenodo.10819524", "host": "zenodo.org", "commit": "", "license": "CC-BY-4.0", "license_confirmed_by": "license of the archive's record", "redistribution": "yes", "files": [ { "path": "README.md", "sha256": "4c7de7152c5c049dc76ba092ad909691a4d2954638ec93be7a3f0e1adffcfe25", "language": "Text", "lines": 345, "truncated": false, "block": 18, "row": 11222 }, { "path": "code/add_chain_id.py", "sha256": "6d04f74d143de6a3016c770a7cd2226418a2415602c48ddd11c06b9cd05ff104", "language": "Python", "lines": 36, "truncated": false, "block": 17, "row": 20234 }, { "path": "code/analysis.py", "sha256": "60b0640ba29d7371610c6e997b87b8f17e2afa4617e1096b9d757bfb7f8536d2", "language": "Python", "lines": 261, "truncated": false, "block": 18, "row": 523 }, { "path": "code/condor.py", "sha256": "77f0c25048edc2a87a91a86dfcf0b9d4439f593e6bddda15b29e62b89f563497", "language": "Python", "lines": 495, "truncated": false, "block": 18, "row": 3490 }, { "path": "code/database.py", "sha256": "600fcc54eb3d3effec56ae80e2112ea20a75b89b8b81ddf19aa928d364aa7c82", "language": "Python", "lines": 166, "truncated": false, "block": 17, "row": 29895 }, { "path": "code/energize.py", "sha256": "9f9d3717595d1408059887887b38ab76020fd17e41d6df9ae525e8cae5b70c88", "language": "Python", "lines": 527, "truncated": false, "block": 18, "row": 4067 }, { "path": "code/gb1_docking.py", "sha256": "0f16abde881bbf8615ea97226e3e663a4ad58be6870a8b6c41e7361ddf4f0bcd", "language": "Python", "lines": 446, "truncated": false, "block": 18, "row": 3192 }, { "path": "code/prepare.py", "sha256": "a34beadc9d237f2c511c23a550707d7c930a8c9835014057b02a37aaa55ac26e", "language": "Python", "lines": 209, "truncated": false, "block": 17, "row": 31825 }, { "path": "code/process_run.py", "sha256": "a39ff304966e2efbef32d673b0ca6100ada37cd257f4f0f240762838c009753c", "language": "Python", "lines": 287, "truncated": false, "block": 18, "row": 1097 }, { "path": "code/query_pdb.py", "sha256": "399ed84eac1b5397147a61a932620846771d765868b34da4266afbddbb55ab29", "language": "Python", "lines": 71, "truncated": false, "block": 17, "row": 22550 }, { "path": "code/rosetta_minimal.py", "sha256": "e27cad960ffc1f7fbdfc086cba819b922046a7a29d33520f43246ba209171962", "language": "Python", "lines": 157, "truncated": false, "block": 17, "row": 30777 }, { "path": "code/templates.py", "sha256": "c6a35c88a8558d6b9bc8b2adfe6ec9eb4e3a89034a22acc7aa126f5ae65d9e3b", "language": "Python", "lines": 80, "truncated": false, "block": 17, "row": 24756 }, { "path": "code/utils.py", "sha256": "abb81fc27a6bf2e9c2285149acd3b0e4b523cf138cdb73a88d958dc04756aaa1", "language": "Python", "lines": 177, "truncated": false, "block": 17, "row": 30542 }, { "path": "code/variants.py", "sha256": "5acf4017fb4fd431a11c55d280a292924a743d52d3100864ec6a631641dabc27", "language": "Python", "lines": 691, "truncated": false, "block": 18, "row": 4481 }, { "path": "htcondor/package_env.sh", "sha256": "17d1a36e76949c8b821c16c39f42501c8c671c98bfb3e59b3812329e50724ff3", "language": "Shell", "lines": 64, "truncated": false, "block": 18, "row": 9828 }, { "path": "htcondor/templates/run.sh", "sha256": "47f75bef0e20a34934d229cf4f88db217b5ad0166b5748a515bb832e2218c803", "language": "Shell", "lines": 82, "truncated": false, "block": 18, "row": 9939 }, { "path": "htcondor/templates/run_prepare.sh", "sha256": "95f47c117cf788de18da50e7cc5fd754429400e0c29f66f99f7af6594502c737", "language": "Shell", "lines": 99, "truncated": false, "block": 18, "row": 9988 }, { "path": "notebooks/parse_KosciolekAndJones.ipynb", "sha256": "3dfd282695a85ca1da05a07113fcaf0c02424afd470038eb56872bfdd94447e2", "language": "Jupyter", "lines": 326, "truncated": false, "block": 17, "row": 6861 }, { "path": "pdb_files/KosciolekAndJones/fetch_pdbs.sh", "sha256": "14390d3b292d431e9c0898f8e9b6b38af5f3dbe33f42a5923fdb2a85b92846ac", "language": "Shell", "lines": 62, "truncated": false, "block": 18, "row": 10084 }, { "path": "pdb_files/KosciolekAndJones/loop_modeling/scripts/check_remodeled_structure.py", "sha256": "6893fce632b4786bcf0b39ceb1de44f9b2bd603ce56fa96349685a327a5bf876", "language": "Python", "lines": 53, "truncated": false, "block": 17, "row": 21608 }, { "path": "pdb_files/KosciolekAndJones/loop_modeling/scripts/merge_structure_files.py", "sha256": "e7cfc18a280f8b3499369fb18022317fa72b87cdf8146db28bc350fd9f66e58d", "language": "Python", "lines": 235, "truncated": false, "block": 17, "row": 31957 }, { "path": "pdb_files/KosciolekAndJones/loop_modeling/scripts/merge_structure_files_1rw7.py", "sha256": "550ffd6dd37f9178a0fd6aceabc0b46d971a16b0f38f9bf27d5bfe397ee477ff", "language": "Python", "lines": 62, "truncated": false, "block": 17, "row": 23104 }, { "path": "pdb_files/KosciolekAndJones/loop_modeling/scripts/remodel_blueprint.py", "sha256": "ab385be0ebf498b8a0d72a32ce06395090c56471fe02317a866216b0f3049939", "language": "Python", "lines": 202, "truncated": false, "block": 17, "row": 31935 }, { "path": "pdb_files/KosciolekAndJones/loop_modeling/stragglers/list_stragglers.sh", "sha256": "584fd6b90bc7fe04bdfa12cf6232af552ea7a942ac2469f81f229ee28b81125d", "language": "Shell", "lines": 3, "truncated": false, "block": 18, "row": 8653 }, { "path": "pdb_files/KosciolekAndJones/prepare.sh", "sha256": "d671813a21f4c9f36371671d913d2b6dc0e42a8174f3c9e34b2a72082b359e52", "language": "Shell", "lines": 10, "truncated": false, "block": 18, "row": 8996 }, { "path": "templates/docking_wd_template/protein_dock_fast.sh", "sha256": "9381e812bece7a4aa8bbc1e099d7b75c3e7925f8fe301e2f36890e0bea7f649d", "language": "Shell", "lines": 102, "truncated": false, "block": 18, "row": 9993 } ] }