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asford/load_180102_av9_scaffolds.ipynb

Created January 6, 2018 07:05
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180101_loop_rebuild/load_180102_av9_scaffolds.ipynb
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load_180102_av9_scaffolds.ipynb
{
"cells": [
{
"metadata": {
"trusted": true
},
"cell_type": "code",
"source": "import logging\nlogging.basicConfig(level=logging.INFO)",
"execution_count": 2,
"outputs": []
},
{
"metadata": {
"trusted": true
},
"cell_type": "code",
"source": "import pandas",
"execution_count": 3,
"outputs": []
},
{
"metadata": {
"trusted": true
},
"cell_type": "code",
"source": "import pyrosetta\nimport pyrosetta.distributed.io as io\nimport pyrosetta.distributed.packed_pose as packed_pose",
"execution_count": 4,
"outputs": []
},
{
"metadata": {
"trusted": true
},
"cell_type": "code",
"source": "import toolz\nfrom toolz.curried import first, groupby, valmap, compose",
"execution_count": 5,
"outputs": []
},
{
"metadata": {
"trusted": true
},
"cell_type": "code",
"source": "input_paths = !ls 180102_av9_scaffolds/*/*.pdb\ninput_pdbs = {tuple(p.split(\"/\")[-2:]) : p for p in input_paths}",
"execution_count": 6,
"outputs": []
},
{
"metadata": {
"trusted": true
},
"cell_type": "code",
"source": "input_pack = valmap( compose(io.to_output_record, io.pose_from_file), input_pdbs )",
"execution_count": 7,
"outputs": [
{
"name": "stderr",
"text": "INFO:pyrosetta.distributed:maybe_init performing pyrosetta initialization: {'extra_options': '-out:levels all:warning'}\nINFO:rosetta:Found rosetta database at: /home/fordas/.conda/envs/dev/lib/python3.5/site-packages/pyrosetta/database; using it....\nINFO:rosetta:PyRosetta-4 2017 [Rosetta devel 2017.48.post.dev+92.fordas.dev.17260dd14b017260dd14b0ee938cbbb2afb0e32bdd02a1095af 2018-01-03T11:24:52] retrieved from: https://github.com/RosettaCommons/main\n(C) Copyright Rosetta Commons Member Institutions.\nCreated in JHU by Sergey Lyskov and PyRosetta Team.\n\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 111 in file 180102_av9_scaffolds/loop13/loop_1B_3F.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASN:CtermProteinFull 17\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASP:CtermProteinFull 45\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 111\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 111\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 111\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 111\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 111\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 111\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 111\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 111\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 111 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 111 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 111 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 111 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 111 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 111 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 111 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 111 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 111 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 106 in file 180102_av9_scaffolds/loop35/loop_3G_5C.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASP:CtermProteinFull 49\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue TYR:CtermProteinFull 72\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 106\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 106\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 106\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 106\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 106\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 106\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 106\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 106\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 106 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 106 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 106 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 106 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 106 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 106 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 106 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 106 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 106 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 109 in file 180102_av9_scaffolds/loop13/loop_1A_3I.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASN:CtermProteinFull 17\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASP:CtermProteinFull 46\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom C12 (trying to store temperature in PDBInfo)\n",
"output_type": "stream"
},
{
"name": "stderr",
"text": "INFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 102 in file 180102_av9_scaffolds/loop13/loop_1C_3D.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASN:CtermProteinFull 17\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue THR:CtermProteinFull 39\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 113 in file 180102_av9_scaffolds/loop35/loop_3F_5E.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASP:CtermProteinFull 49\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue PRO:CtermProteinFull 75\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 113\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 113\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 113\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 113\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 113\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 113\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 113\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 113\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 113 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 113 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 113 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 113 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 113 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 113 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 113 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 113 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 113 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 108 in file 180102_av9_scaffolds/loop3/loop_3B.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ILE:CtermProteinFull 45\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 108\n",
"output_type": "stream"
},
{
"name": "stderr",
"text": "INFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 107 in file 180102_av9_scaffolds/loop13/loop_1B_3L.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASN:CtermProteinFull 17\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue GLY:CtermProteinFull 43\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 107 in file 180102_av9_scaffolds/loop3/loop_3D.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue THR:CtermProteinFull 44\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 105 in file 180102_av9_scaffolds/loop35/loop_3J_5B.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue GLY:CtermProteinFull 48\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue TYR:CtermProteinFull 70\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 105\n",
"output_type": "stream"
},
{
"name": "stderr",
"text": "INFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 108 in file 180102_av9_scaffolds/loop13/loop_1A_3L.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASN:CtermProteinFull 17\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue GLY:CtermProteinFull 44\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 108\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 108 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 101 in file 180102_av9_scaffolds/loop35/loop_3B_5C.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ILE:CtermProteinFull 45\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue TYR:CtermProteinFull 67\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 101\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 101\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 101\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 101\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 101\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 101\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 101\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 101\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 101 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 101 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 101 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 101 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 101 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 101 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 101 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 101 atom O1 (trying to store temperature in PDBInfo)\n",
"output_type": "stream"
},
{
"name": "stderr",
"text": "INFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 101 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 104 in file 180102_av9_scaffolds/loop35/loop_3E_5E.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue THR:CtermProteinFull 44\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue PRO:CtermProteinFull 66\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 104\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 104\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 104\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 104\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 104\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 104\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 104\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 104\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 104 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 104 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 104 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 104 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 104 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 104 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 104 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 104 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 104 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 109 in file 180102_av9_scaffolds/loop1/loop_1A.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASN:CtermProteinFull 17\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 109\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 109 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 112 in file 180102_av9_scaffolds/loop13/loop_1A_3F.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASN:CtermProteinFull 17\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASP:CtermProteinFull 46\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 112\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 112\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 112\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 112\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 112\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 112\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 112\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 112\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 112 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 112 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 112 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 112 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 112 atom C8 (trying to store temperature in PDBInfo)\n",
"output_type": "stream"
},
{
"name": "stderr",
"text": "INFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 112 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 112 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 112 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 112 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 102 in file 180102_av9_scaffolds/loop13/loop_1C_3C.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASN:CtermProteinFull 17\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ILE:CtermProteinFull 40\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 102 in file 180102_av9_scaffolds/loop35/loop_3M_5C.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue VAL:CtermProteinFull 45\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue TYR:CtermProteinFull 68\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 99 in file 180102_av9_scaffolds/loop35/loop_3E_5C.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue THR:CtermProteinFull 44\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue TYR:CtermProteinFull 65\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 99\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 99\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 99\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 99\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 99\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 99\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 99\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 99\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 99 atom C1 (trying to store temperature in PDBInfo)\n",
"output_type": "stream"
},
{
"name": "stderr",
"text": "INFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 99 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 99 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 99 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 99 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 99 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 99 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 99 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 99 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 107 in file 180102_av9_scaffolds/loop35/loop_3M_5E.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue VAL:CtermProteinFull 45\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue PRO:CtermProteinFull 69\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 107\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 107 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 102 in file 180102_av9_scaffolds/loop57/loop_7C_5A.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue TYR:CtermProteinFull 71\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue THR:CtermProteinFull 92\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 102\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 102 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 103 in file 180102_av9_scaffolds/loop13/loop_1C_3B.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASN:CtermProteinFull 17\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ILE:CtermProteinFull 40\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 103\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 103\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 103\n",
"output_type": "stream"
},
{
"name": "stderr",
"text": "INFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 103\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 103\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 103\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 103\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 103\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 103 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 103 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 103 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 103 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 103 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 103 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 103 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 103 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 103 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 105 in file 180102_av9_scaffolds/loop57/loop_7D_5A.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue TYR:CtermProteinFull 71\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue HIS:CtermProteinFull 93\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N8 on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N5 on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O9 on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O10 on residue pdb_HBI 105\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom C1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom C12 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom C3 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom C5 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom C8 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom F1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom F2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom O1 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m can't find pose atom for file-residue 105 atom O2 (trying to store temperature in PDBInfo)\nINFO:rosetta:\u001b[0mcore.io.pose_from_sfr.PoseFromSFRBuilder: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m discarding 15 atoms at position 104 in file 180102_av9_scaffolds/loop13/loop_1C_3M.pdb. Best match rsd_type: pdb_HBI\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue ASN:CtermProteinFull 17\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: OXT on residue VAL:CtermProteinFull 40\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: N3 on residue pdb_HBI 104\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: O4 on residue pdb_HBI 104\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C4A on residue pdb_HBI 104\nINFO:rosetta:\u001b[0mcore.conformation.Conformation: \u001b[0m\u001b[1m[ WARNING ]\u001b[0m missing heavyatom: C8A on residue pdb_HBI 104\nINFO:rosetta:",
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"source": "input_frame = pandas.DataFrame.from_dict(input_pack, orient=\"index\")\ninput_frame.index.names = (\"group\", \"sample\")",
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"outputs": []
}
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